Triazoles

Organic heterocyclic compounds that consist of a five-membered ring made up of two carbon atoms and three nitrogen atoms.

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4-Amino-4H-1,2,4-triazole, 99%

CAS: 584-13-4 Molecular Formula: C₂H₄N₄ Molecular Weight (g/mol): 84.08 MDL Number: MFCD00003099 InChI Key: FMCUPJKTGNBGEC-UHFFFAOYSA-N Synonym: 4-amino-1,2,4-triazole,4-amino-4h-1,2,4-triazole,4h-1,2,4-triazol-4-amine,1-amino-1,3,4-triazole,4h-1,2,4-triazole, 4-amino,1-amino-1h-1,3,4-triazole,4-amino-1,2,4 4h-triazole,4h-1,2,4-triazol-4-ylamine,1-amino-1,4-triazole,4-amino-1,4-triazole PubChem CID: 11432 IUPAC Name: 1,2,4-triazol-4-amine SMILES: C1=NN=CN1N

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PubChem CID	11432
CAS	584-13-4
Molecular Weight (g/mol)	84.08
MDL Number	MFCD00003099
SMILES	C1=NN=CN1N
Synonym	4-amino-1,2,4-triazole,4-amino-4h-1,2,4-triazole,4h-1,2,4-triazol-4-amine,1-amino-1,3,4-triazole,4h-1,2,4-triazole, 4-amino,1-amino-1h-1,3,4-triazole,4-amino-1,2,4 4h-triazole,4h-1,2,4-triazol-4-ylamine,1-amino-1,4-triazole,4-amino-1,4-triazole
IUPAC Name	1,2,4-triazol-4-amine
InChI Key	FMCUPJKTGNBGEC-UHFFFAOYSA-N
Molecular Formula	C₂H₄N₄

4-(1H-1,2,4-triazol-1-ylmethyl)aniline, ≥97%, Thermo Scientific™

CAS: 119192-10-8 Molecular Formula: C9H10N4 Molecular Weight (g/mol): 174.207 MDL Number: MFCD00973306 InChI Key: ZGLQVRIVLWGDNA-UHFFFAOYSA-N Synonym: 4-1h-1,2,4-triazol-1-ylmethyl aniline,4-1h-1,2,4-triazol-1-yl methyl aniline,1-4-aminobenzyl-1,2,4-triazole,4-1,2,4-triazol-1-ylmethyl aniline,4-1h-1,2,4-triazol-1-yl-methyl benzenamine,4-1,2,4 triazol-1-ylmethylphenylamine,benzenamine, 4-1h-1,2,4-triazol-1-ylmethyl,4-1,2,4 triazol-1-ylmethyl-phenylamine,4-1h-1,2,4-triazol-1-yl-methyl aniline,4-1h-1,2,4-triazol-1-ylmethyl benzenamine PubChem CID: 821219 IUPAC Name: 4-(1,2,4-triazol-1-ylmethyl)aniline SMILES: C1=CC(=CC=C1CN2C=NC=N2)N

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PubChem CID	821219
CAS	119192-10-8
Molecular Weight (g/mol)	174.207
MDL Number	MFCD00973306
SMILES	C1=CC(=CC=C1CN2C=NC=N2)N
Synonym	4-1h-1,2,4-triazol-1-ylmethyl aniline,4-1h-1,2,4-triazol-1-yl methyl aniline,1-4-aminobenzyl-1,2,4-triazole,4-1,2,4-triazol-1-ylmethyl aniline,4-1h-1,2,4-triazol-1-yl-methyl benzenamine,4-1,2,4 triazol-1-ylmethylphenylamine,benzenamine, 4-1h-1,2,4-triazol-1-ylmethyl,4-1,2,4 triazol-1-ylmethyl-phenylamine,4-1h-1,2,4-triazol-1-yl-methyl aniline,4-1h-1,2,4-triazol-1-ylmethyl benzenamine
IUPAC Name	4-(1,2,4-triazol-1-ylmethyl)aniline
InChI Key	ZGLQVRIVLWGDNA-UHFFFAOYSA-N
Molecular Formula	C9H10N4

4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile, ≥97%, Thermo Scientific™

CAS: 112809-25-3 Molecular Formula: C10H8N4 Molecular Weight (g/mol): 184.202 MDL Number: MFCD07368016 InChI Key: HQLYWHSJALKYOV-UHFFFAOYSA-N Synonym: 4-1h-1,2,4-triazol-1-ylmethyl benzonitrile,4-1h-1,2,4-triazol-1-yl methyl benzonitrile,4-1h-1,2,4-triazolylmethyl benzonitrile,4-1,2,4-triazol-1-ylmethyl benzonitrile,benzonitrile, 4-1h-1,2,4-triazol-1-ylmethyl,4-1,2,4-triazol-1-yl methyl benzonitrile,4-1-1,2,4-triazolyl methyl benzontrile,4-1,2,4-triazolylmethyl benzenecarbonitrile,letrozole impurity c PubChem CID: 7537616 IUPAC Name: 4-(1,2,4-triazol-1-ylmethyl)benzonitrile SMILES: C1=CC(=CC=C1CN2C=NC=N2)C#N

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PubChem CID	7537616
CAS	112809-25-3
Molecular Weight (g/mol)	184.202
MDL Number	MFCD07368016
SMILES	C1=CC(=CC=C1CN2C=NC=N2)C#N
Synonym	4-1h-1,2,4-triazol-1-ylmethyl benzonitrile,4-1h-1,2,4-triazol-1-yl methyl benzonitrile,4-1h-1,2,4-triazolylmethyl benzonitrile,4-1,2,4-triazol-1-ylmethyl benzonitrile,benzonitrile, 4-1h-1,2,4-triazol-1-ylmethyl,4-1,2,4-triazol-1-yl methyl benzonitrile,4-1-1,2,4-triazolyl methyl benzontrile,4-1,2,4-triazolylmethyl benzenecarbonitrile,letrozole impurity c
IUPAC Name	4-(1,2,4-triazol-1-ylmethyl)benzonitrile
InChI Key	HQLYWHSJALKYOV-UHFFFAOYSA-N
Molecular Formula	C10H8N4

3-Amino-1,2,4-triazole 98.0+%, TCI America™

CAS: 61-82-5 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.08 MDL Number: MFCD00005230,MFCD00053362 InChI Key: KLSJWNVTNUYHDU-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox PubChem CID: 1639 ChEBI: CHEBI:40036 IUPAC Name: 1H-1,2,4-triazol-5-amine SMILES: NC1=NC=NN1

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PubChem CID	1639
CAS	61-82-5
Molecular Weight (g/mol)	84.08
ChEBI	CHEBI:40036
MDL Number	MFCD00005230,MFCD00053362
SMILES	NC1=NC=NN1
Synonym	3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox
IUPAC Name	1H-1,2,4-triazol-5-amine
InChI Key	KLSJWNVTNUYHDU-UHFFFAOYSA-N
Molecular Formula	C2H4N4

1,2,4-Triazole 99.0+%, TCI America™

CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1

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PubChem CID	9257
CAS	288-88-0
Molecular Weight (g/mol)	69.067
ChEBI	CHEBI:35550
MDL Number	MFCD00005228
SMILES	C1=NC=NN1
Synonym	1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van
IUPAC Name	1H-1,2,4-triazole
InChI Key	NSPMIYGKQJPBQR-UHFFFAOYSA-N
Molecular Formula	C2H3N3

5-Methyl-1H-benzotriazole 99.0+%, TCI America™

CAS: 136-85-6 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005702 InChI Key: LRUDIIUSNGCQKF-UHFFFAOYSA-N Synonym: 5-methyl-1h-benzotriazole,5-methylbenzotriazole,tolutriazole,5-tolyltriazole,1h-benzotriazole, 5-methyl,6-methylbenzotriazole,5-methyl-1h-benzo d 1,2,3 triazole,5-methyl-1,2,3-benzotriazole,6-methyl-1,2,3-benzotriazole,t56 bmnnj g1 PubChem CID: 8705 ChEBI: CHEBI:83455 IUPAC Name: 5-methyl-2H-1,2,3-benzotriazole SMILES: CC1=CC2=NNN=C2C=C1

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Specifications

PubChem CID	8705
CAS	136-85-6
Molecular Weight (g/mol)	133.15
ChEBI	CHEBI:83455
MDL Number	MFCD00005702
SMILES	CC1=CC2=NNN=C2C=C1
Synonym	5-methyl-1h-benzotriazole,5-methylbenzotriazole,tolutriazole,5-tolyltriazole,1h-benzotriazole, 5-methyl,6-methylbenzotriazole,5-methyl-1h-benzo d 1,2,3 triazole,5-methyl-1,2,3-benzotriazole,6-methyl-1,2,3-benzotriazole,t56 bmnnj g1
IUPAC Name	5-methyl-2H-1,2,3-benzotriazole
InChI Key	LRUDIIUSNGCQKF-UHFFFAOYSA-N
Molecular Formula	C7H7N3

(6-Chloro-1H-benzotriazol-1-yloxy)tripyrrolidinophosphonium Hexafluorophosphate 98.0+%, TCI America™

CAS: 893413-42-8 Molecular Formula: C18H27ClF6N6OP2 Molecular Weight (g/mol): 554.84 MDL Number: MFCD14560589 InChI Key: QJZCQEPNBRAYQL-UHFFFAOYSA-N Synonym: TPTDP PubChem CID: 16039314 IUPAC Name: [(6-chloro-1H-1,2,3-benzotriazol-1-yl)oxy]tris(pyrrolidin-1-yl)phosphanium; hexafluoro-λ⁵-phosphanuide SMILES: F[P-](F)(F)(F)(F)F.ClC1=CC=C2N=NN(O[P+](N3CCCC3)(N3CCCC3)N3CCCC3)C2=C1

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PubChem CID	16039314
CAS	893413-42-8
Molecular Weight (g/mol)	554.84
MDL Number	MFCD14560589
SMILES	F[P-](F)(F)(F)(F)F.ClC1=CC=C2N=NN(O[P+](N3CCCC3)(N3CCCC3)N3CCCC3)C2=C1
Synonym	TPTDP
IUPAC Name	[(6-chloro-1H-1,2,3-benzotriazol-1-yl)oxy]tris(pyrrolidin-1-yl)phosphanium; hexafluoro-λ⁵-phosphanuide
InChI Key	QJZCQEPNBRAYQL-UHFFFAOYSA-N
Molecular Formula	C18H27ClF6N6OP2

3,5-Dimethyl-1,2,4-triazole 95.0+%, TCI America™

CAS: 7343-34-2 Molecular Formula: C4H7N3 Molecular Weight (g/mol): 97.121 MDL Number: MFCD00656686 InChI Key: XYYXDARQOHWBPO-UHFFFAOYSA-N PubChem CID: 139001 IUPAC Name: 3,5-dimethyl-1H-1,2,4-triazole SMILES: CC1=NC(=NN1)C

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Specifications

PubChem CID	139001
CAS	7343-34-2
Molecular Weight (g/mol)	97.121
MDL Number	MFCD00656686
SMILES	CC1=NC(=NN1)C
IUPAC Name	3,5-dimethyl-1H-1,2,4-triazole
InChI Key	XYYXDARQOHWBPO-UHFFFAOYSA-N
Molecular Formula	C4H7N3

8-Azahypoxanthine 98.0+%, TCI America™

CAS: 2683-90-1 Molecular Formula: C4H3N5O Molecular Weight (g/mol): 137.10 MDL Number: MFCD00005804 InChI Key: OEEYCNOOAHGFHL-UHFFFAOYSA-N Synonym: 8-azahypoxanthine,azahypoxanthine,3h-1,2,3 triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-1,2,3,4,6-pentaazaindene,7h-1,2,3-triazolo 4,5-d pyrimidin-7-one, 1,4-dihydro,7-hydroxy-v-triazolo d pyrimidine,1h-1,2,3-triazolo 4,5-d pyrimidin-7-ol,v-triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-3h-1,2,3 triazolo 4,5-d pyrimidine PubChem CID: 75895 IUPAC Name: 2H,3H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one SMILES: O=C1N=CN=C2NNN=C12

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Specifications

PubChem CID	75895
CAS	2683-90-1
Molecular Weight (g/mol)	137.10
MDL Number	MFCD00005804
SMILES	O=C1N=CN=C2NNN=C12
Synonym	8-azahypoxanthine,azahypoxanthine,3h-1,2,3 triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-1,2,3,4,6-pentaazaindene,7h-1,2,3-triazolo 4,5-d pyrimidin-7-one, 1,4-dihydro,7-hydroxy-v-triazolo d pyrimidine,1h-1,2,3-triazolo 4,5-d pyrimidin-7-ol,v-triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-3h-1,2,3 triazolo 4,5-d pyrimidine
IUPAC Name	2H,3H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
InChI Key	OEEYCNOOAHGFHL-UHFFFAOYSA-N
Molecular Formula	C4H3N5O

4,4'-Di(1,2,3-triazolyl) Disulfide Hydrate 98.0+%, TCI America™

CAS: 6440-09-1 Molecular Formula: C4H4N6S2 Molecular Weight (g/mol): 200.24 InChI Key: NLSOBKJRPPRVSB-UHFFFAOYSA-N Synonym: 4,4′C-Dithiobis(1,2,3-triazole) PubChem CID: 23002801 IUPAC Name: 4-(2H-triazol-4-yldisulfanyl)-2H-triazole SMILES: C1=NNN=C1SSC2=NNN=C2

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PubChem CID	23002801
CAS	6440-09-1
Molecular Weight (g/mol)	200.24
SMILES	C1=NNN=C1SSC2=NNN=C2
Synonym	4,4′C-Dithiobis(1,2,3-triazole)
IUPAC Name	4-(2H-triazol-4-yldisulfanyl)-2H-triazole
InChI Key	NLSOBKJRPPRVSB-UHFFFAOYSA-N
Molecular Formula	C4H4N6S2

4-(1,2,4-Triazol-1-ylmethyl)aniline 98.0+%, TCI America™

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Specifications

PubChem CID	821219
CAS	119192-10-8
Molecular Weight (g/mol)	174.207
MDL Number	MFCD00973306
SMILES	C1=CC(=CC=C1CN2C=NC=N2)N
Synonym	4-1h-1,2,4-triazol-1-ylmethyl aniline,4-1h-1,2,4-triazol-1-yl methyl aniline,1-4-aminobenzyl-1,2,4-triazole,4-1,2,4-triazol-1-ylmethyl aniline,4-1h-1,2,4-triazol-1-yl-methyl benzenamine,4-1,2,4 triazol-1-ylmethylphenylamine,benzenamine, 4-1h-1,2,4-triazol-1-ylmethyl,4-1,2,4 triazol-1-ylmethyl-phenylamine,4-1h-1,2,4-triazol-1-yl-methyl aniline,4-1h-1,2,4-triazol-1-ylmethyl benzenamine
IUPAC Name	4-(1,2,4-triazol-1-ylmethyl)aniline
InChI Key	ZGLQVRIVLWGDNA-UHFFFAOYSA-N
Molecular Formula	C9H10N4

1H-1,2,3-Triazole 98.0+%, TCI America™

CAS: 288-36-8 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00014490 InChI Key: QWENRTYMTSOGBR-UHFFFAOYSA-N Synonym: 1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole PubChem CID: 67516 ChEBI: CHEBI:35565 IUPAC Name: 2H-triazole SMILES: C1=NNN=C1

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Specifications

PubChem CID	67516
CAS	288-36-8
Molecular Weight (g/mol)	69.067
ChEBI	CHEBI:35565
MDL Number	MFCD00014490
SMILES	C1=NNN=C1
Synonym	1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole
IUPAC Name	2H-triazole
InChI Key	QWENRTYMTSOGBR-UHFFFAOYSA-N
Molecular Formula	C2H3N3

5-Chlorobenzotriazole 98.0+%, TCI America™

CAS: 94-97-3 Molecular Formula: C6H4ClN3 Molecular Weight (g/mol): 153.57 MDL Number: MFCD00005700 InChI Key: PZBQVZFITSVHAW-UHFFFAOYSA-N Synonym: 5-chlorobenzotriazole,1h-benzotriazole, 5-chloro,6-chlorobenzotriazole,5-chloro-1h-benzotriazole,1h-benzotriazole, 6-chloro,5-chloro-1h-benzo d 1,2,3 triazole,5-chloro-1h-1,2,3-benzotriazole,6-chloro-1h-benzotriazole,unii-8c7o46g78k,5-chlorobenztriazole PubChem CID: 66760 IUPAC Name: 5-chloro-2H-1,2,3-benzotriazole SMILES: ClC1=CC2=NNN=C2C=C1

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Specifications

PubChem CID	66760
CAS	94-97-3
Molecular Weight (g/mol)	153.57
MDL Number	MFCD00005700
SMILES	ClC1=CC2=NNN=C2C=C1
Synonym	5-chlorobenzotriazole,1h-benzotriazole, 5-chloro,6-chlorobenzotriazole,5-chloro-1h-benzotriazole,1h-benzotriazole, 6-chloro,5-chloro-1h-benzo d 1,2,3 triazole,5-chloro-1h-1,2,3-benzotriazole,6-chloro-1h-benzotriazole,unii-8c7o46g78k,5-chlorobenztriazole
IUPAC Name	5-chloro-2H-1,2,3-benzotriazole
InChI Key	PZBQVZFITSVHAW-UHFFFAOYSA-N
Molecular Formula	C6H4ClN3

1H-Benzotriazole-1-methanol 98.0+%, TCI America™

CAS: 28539-02-8 Molecular Formula: C7H7N3O Molecular Weight (g/mol): 149.153 MDL Number: MFCD00179118 InChI Key: MXJIHEXYGRXHGP-UHFFFAOYSA-N Synonym: 1-(Hydroxymethyl)-1H-benzotriazole PubChem CID: 224169 IUPAC Name: benzotriazol-1-ylmethanol SMILES: C1=CC=C2C(=C1)N=NN2CO

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Specifications

PubChem CID	224169
CAS	28539-02-8
Molecular Weight (g/mol)	149.153
MDL Number	MFCD00179118
SMILES	C1=CC=C2C(=C1)N=NN2CO
Synonym	1-(Hydroxymethyl)-1H-benzotriazole
IUPAC Name	benzotriazol-1-ylmethanol
InChI Key	MXJIHEXYGRXHGP-UHFFFAOYSA-N
Molecular Formula	C7H7N3O

1H-Benzotriazol-1-yloxytripyrrolidinophosphonium Hexafluorophosphate 98.0+%, TCI America™

CAS: 128625-52-5 Molecular Formula: C18H28F6N6OP2 Molecular Weight (g/mol): 520.401 MDL Number: MFCD00077411 InChI Key: VIAFLMPQBHAMLI-UHFFFAOYSA-N Synonym: pybop,1h-benzo d 1,2,3 triazol-1-yl oxy tri pyrrolidin-1-yl phosphonium hexafluorophosphate v,benzotriazol-1-yloxy tripyrrolidinophosphonium hexafluorophosphate,benzotriazole-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yloxytris pyrrolidino phosphonium hexafluorophosphate,benzotriazole-1-yl-oxy-tris-pyrrolidino-phosphonium hexafluorophosphate,benzotriazol-1-yl-oxy-tripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinphosphonium hexafluorophosphate PubChem CID: 2724699 IUPAC Name: benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium;hexafluorophosphate SMILES: C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F

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Specifications

PubChem CID	2724699
CAS	128625-52-5
Molecular Weight (g/mol)	520.401
MDL Number	MFCD00077411
SMILES	C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F
Synonym	pybop,1h-benzo d 1,2,3 triazol-1-yl oxy tri pyrrolidin-1-yl phosphonium hexafluorophosphate v,benzotriazol-1-yloxy tripyrrolidinophosphonium hexafluorophosphate,benzotriazole-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yloxytris pyrrolidino phosphonium hexafluorophosphate,benzotriazole-1-yl-oxy-tris-pyrrolidino-phosphonium hexafluorophosphate,benzotriazol-1-yl-oxy-tripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinphosphonium hexafluorophosphate
IUPAC Name	benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium;hexafluorophosphate
InChI Key	VIAFLMPQBHAMLI-UHFFFAOYSA-N
Molecular Formula	C18H28F6N6OP2

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