Organoheterocyclic compounds
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1,5-Diazabicyclo[4.3.0]non-5-ene, 98%
CAS: 3001-72-7 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.19 MDL Number: MFCD00005554 InChI Key: SGUVLZREKBPKCE-UHFFFAOYSA-N Synonym: 1,5-diazabicyclo 4.3.0 non-5-ene,2,3,4,6,7,8-hexahydropyrrolo 1,2-a pyrimidine,unii-978m4ol12q,2h,3h,4h,6h,7h,8h-pyrrolo 1,2-a pyrimidine,pyrrolo 1,2-a pyrimidine, 2,3,4,6,7,8-hexahydro,1,5-diazabicyclo 4,3,0 non-5-ene,1,5-diazabicyclo 4.3.0-5-nonene,1,5-diazabicyclo-4.3.0 non-5-ene PubChem CID: 76349 IUPAC Name: 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine SMILES: C1CN2CCCN=C2C1
| PubChem CID | 76349 |
|---|---|
| CAS | 3001-72-7 |
| Molecular Weight (g/mol) | 124.19 |
| MDL Number | MFCD00005554 |
| SMILES | C1CN2CCCN=C2C1 |
| Synonym | 1,5-diazabicyclo 4.3.0 non-5-ene,2,3,4,6,7,8-hexahydropyrrolo 1,2-a pyrimidine,unii-978m4ol12q,2h,3h,4h,6h,7h,8h-pyrrolo 1,2-a pyrimidine,pyrrolo 1,2-a pyrimidine, 2,3,4,6,7,8-hexahydro,1,5-diazabicyclo 4,3,0 non-5-ene,1,5-diazabicyclo 4.3.0-5-nonene,1,5-diazabicyclo-4.3.0 non-5-ene |
| IUPAC Name | 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine |
| InChI Key | SGUVLZREKBPKCE-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2 |
6-Phenylpyrid-3-ylamine, 97%, Thermo Scientific™
CAS: 126370-67-0 Molecular Formula: C11H10N2 Molecular Weight (g/mol): 170.22 MDL Number: MFCD04114197 InChI Key: FLIQYTXJLWGVBG-UHFFFAOYSA-N Synonym: 6-phenyl-3-pyridinamine,5-amino-2-phenylpyridine,6-phenylpyrid-3-ylamine,3-amino-6-phenylpyridine,3-pyridinamine,6-phenyl,6-phenyl-pyridin-3-ylamine,6-phenylpyridine-3-amine,6-phenyl-3-pyridylamine,acmc-1c4ss,5-amino-2-phenyl pyridine PubChem CID: 2762877 IUPAC Name: 6-phenylpyridin-3-amine SMILES: NC1=CN=C(C=C1)C1=CC=CC=C1
| PubChem CID | 2762877 |
|---|---|
| CAS | 126370-67-0 |
| Molecular Weight (g/mol) | 170.22 |
| MDL Number | MFCD04114197 |
| SMILES | NC1=CN=C(C=C1)C1=CC=CC=C1 |
| Synonym | 6-phenyl-3-pyridinamine,5-amino-2-phenylpyridine,6-phenylpyrid-3-ylamine,3-amino-6-phenylpyridine,3-pyridinamine,6-phenyl,6-phenyl-pyridin-3-ylamine,6-phenylpyridine-3-amine,6-phenyl-3-pyridylamine,acmc-1c4ss,5-amino-2-phenyl pyridine |
| IUPAC Name | 6-phenylpyridin-3-amine |
| InChI Key | FLIQYTXJLWGVBG-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2 |
2,2':5',2″-Terthiophene, 99%
CAS: 1081-34-1 Molecular Formula: C12H8S3 Molecular Weight (g/mol): 248.376 MDL Number: MFCD00012167 InChI Key: KXSFECAJUBPPFE-UHFFFAOYSA-N Synonym: 2,2':5',2-terthiophene,alpha-terthienyl,alpha-terthiophene,2,5-di 2-thienyl thiophene,2,2',5',2-terthienyl,2,5-bis 2-thienyl thiophene,unii-0p77rau2rr,2,2'-5',2-terthiophene,0p77rau2rr,2,2':5',2-terthienyl PubChem CID: 65067 ChEBI: CHEBI:10335 IUPAC Name: 2,5-dithiophen-2-ylthiophene SMILES: C1=CSC(=C1)C2=CC=C(S2)C3=CC=CS3
| PubChem CID | 65067 |
|---|---|
| CAS | 1081-34-1 |
| Molecular Weight (g/mol) | 248.376 |
| ChEBI | CHEBI:10335 |
| MDL Number | MFCD00012167 |
| SMILES | C1=CSC(=C1)C2=CC=C(S2)C3=CC=CS3 |
| Synonym | 2,2':5',2-terthiophene,alpha-terthienyl,alpha-terthiophene,2,5-di 2-thienyl thiophene,2,2',5',2-terthienyl,2,5-bis 2-thienyl thiophene,unii-0p77rau2rr,2,2'-5',2-terthiophene,0p77rau2rr,2,2':5',2-terthienyl |
| IUPAC Name | 2,5-dithiophen-2-ylthiophene |
| InChI Key | KXSFECAJUBPPFE-UHFFFAOYSA-N |
| Molecular Formula | C12H8S3 |
2,3-Diphenylquinoxaline, 98+%
CAS: 1684-14-6 Molecular Formula: C20H14N2 Molecular Weight (g/mol): 282.346 MDL Number: MFCD00014659 InChI Key: RSNQVABHABAKEZ-UHFFFAOYSA-N PubChem CID: 74311 IUPAC Name: 2,3-diphenylquinoxaline SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4
| PubChem CID | 74311 |
|---|---|
| CAS | 1684-14-6 |
| Molecular Weight (g/mol) | 282.346 |
| MDL Number | MFCD00014659 |
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4 |
| IUPAC Name | 2,3-diphenylquinoxaline |
| InChI Key | RSNQVABHABAKEZ-UHFFFAOYSA-N |
| Molecular Formula | C20H14N2 |
tert-Butyl 4-(2-formylphenyl)piperazine-1-carboxylate, 97%, Thermo Scientific™
CAS: 174855-57-3 Molecular Formula: C16H22N2O3 Molecular Weight (g/mol): 290.363 MDL Number: MFCD05864664 InChI Key: FGJACYJASSSXNJ-UHFFFAOYSA-N Synonym: 1-boc-4-2-formylphenyl piperazine,tert-butyl 4-2-formylphenyl piperazine-1-carboxylate,4-2-formylphenyl piperazine-1-carboxylic acid tert-butyl ester,tert-butyl 4-2-formylphenyl piperazinecarboxylate,4-2-formyl-phenyl-piperazine-1-carboxylic acid tert-butyl ester,acmc-20a0zo,n-boc-4-2-formylphenyl-piperazine,1-n-boc-4-2-formylphenyl piperazine,1-boc-4-2-formyl-phenyl-piperazine PubChem CID: 6490990 IUPAC Name: tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2C=O
| PubChem CID | 6490990 |
|---|---|
| CAS | 174855-57-3 |
| Molecular Weight (g/mol) | 290.363 |
| MDL Number | MFCD05864664 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2C=O |
| Synonym | 1-boc-4-2-formylphenyl piperazine,tert-butyl 4-2-formylphenyl piperazine-1-carboxylate,4-2-formylphenyl piperazine-1-carboxylic acid tert-butyl ester,tert-butyl 4-2-formylphenyl piperazinecarboxylate,4-2-formyl-phenyl-piperazine-1-carboxylic acid tert-butyl ester,acmc-20a0zo,n-boc-4-2-formylphenyl-piperazine,1-n-boc-4-2-formylphenyl piperazine,1-boc-4-2-formyl-phenyl-piperazine |
| IUPAC Name | tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate |
| InChI Key | FGJACYJASSSXNJ-UHFFFAOYSA-N |
| Molecular Formula | C16H22N2O3 |
2-Chloro-5-methylthiophene, 97%
CAS: 17249-82-0 Molecular Formula: C5H5ClS Molecular Weight (g/mol): 132.605 MDL Number: MFCD01632145 InChI Key: JSMMZMYGEVUURX-UHFFFAOYSA-N Synonym: thiophene, 2-chloro-5-methyl,pubchem5197,acmc-209e4p,2-chloro-5-methyl-thiophene,ksc497i0h,2-chloranyl-5-methyl-thiophene PubChem CID: 140208 IUPAC Name: 2-chloro-5-methylthiophene SMILES: CC1=CC=C(S1)Cl
| PubChem CID | 140208 |
|---|---|
| CAS | 17249-82-0 |
| Molecular Weight (g/mol) | 132.605 |
| MDL Number | MFCD01632145 |
| SMILES | CC1=CC=C(S1)Cl |
| Synonym | thiophene, 2-chloro-5-methyl,pubchem5197,acmc-209e4p,2-chloro-5-methyl-thiophene,ksc497i0h,2-chloranyl-5-methyl-thiophene |
| IUPAC Name | 2-chloro-5-methylthiophene |
| InChI Key | JSMMZMYGEVUURX-UHFFFAOYSA-N |
| Molecular Formula | C5H5ClS |
4-Amino-2,6-dimethylpyridine, 98%
CAS: 3512-80-9 Molecular Formula: C7H10N2 Molecular Weight (g/mol): 122.171 MDL Number: MFCD00130078 InChI Key: ZJXMKPARTVOUAM-UHFFFAOYSA-N PubChem CID: 77047 IUPAC Name: 2,6-dimethylpyridin-4-amine SMILES: CC1=CC(=CC(=N1)C)N
| PubChem CID | 77047 |
|---|---|
| CAS | 3512-80-9 |
| Molecular Weight (g/mol) | 122.171 |
| MDL Number | MFCD00130078 |
| SMILES | CC1=CC(=CC(=N1)C)N |
| IUPAC Name | 2,6-dimethylpyridin-4-amine |
| InChI Key | ZJXMKPARTVOUAM-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2 |
6-Phenylnicotinonitrile, 97%, Thermo Scientific™
CAS: 39065-54-8 Molecular Formula: C12H8N2 Molecular Weight (g/mol): 180.21 MDL Number: MFCD06637420 InChI Key: OSRYUVXCTNUGRM-UHFFFAOYSA-N PubChem CID: 12576518 IUPAC Name: 6-phenylpyridine-3-carbonitrile SMILES: C1=CC=C(C=C1)C2=NC=C(C=C2)C#N
| PubChem CID | 12576518 |
|---|---|
| CAS | 39065-54-8 |
| Molecular Weight (g/mol) | 180.21 |
| MDL Number | MFCD06637420 |
| SMILES | C1=CC=C(C=C1)C2=NC=C(C=C2)C#N |
| IUPAC Name | 6-phenylpyridine-3-carbonitrile |
| InChI Key | OSRYUVXCTNUGRM-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2 |
2-Amino-4,6-dihydroxypyrimidine, 98%
CAS: 56-09-7 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD00006094 InChI Key: AUFJTVGCSJNQIF-UHFFFAOYSA-N Synonym: 2-amino-4,6-dihydroxypyrimidine,2-aminopyrimidine-4,6-diol,4 1h-pyrimidinone, 2-amino-6-hydroxy,2-amino-6-hydroxypyrimidin-4 3h-one,2-amino-4,6-dioxypyrimidine,2-amino-4,6-pyrimidinedione,4,6-dihydroxy-2-aminopyrimidine,2-amino-4,6-pyrimidinediol,2-amino-6-hydroxy-1h-pyrimidin-4-one,2-amino-6-hydroxy-4 1h-pyrimidinone PubChem CID: 66131 IUPAC Name: 2-amino-4-hydroxy-1H-pyrimidin-6-one SMILES: NC1=NC(O)=CC(=O)N1
| PubChem CID | 66131 |
|---|---|
| CAS | 56-09-7 |
| Molecular Weight (g/mol) | 127.10 |
| MDL Number | MFCD00006094 |
| SMILES | NC1=NC(O)=CC(=O)N1 |
| Synonym | 2-amino-4,6-dihydroxypyrimidine,2-aminopyrimidine-4,6-diol,4 1h-pyrimidinone, 2-amino-6-hydroxy,2-amino-6-hydroxypyrimidin-4 3h-one,2-amino-4,6-dioxypyrimidine,2-amino-4,6-pyrimidinedione,4,6-dihydroxy-2-aminopyrimidine,2-amino-4,6-pyrimidinediol,2-amino-6-hydroxy-1h-pyrimidin-4-one,2-amino-6-hydroxy-4 1h-pyrimidinone |
| IUPAC Name | 2-amino-4-hydroxy-1H-pyrimidin-6-one |
| InChI Key | AUFJTVGCSJNQIF-UHFFFAOYSA-N |
| Molecular Formula | C4H5N3O2 |
1-(2-Methoxyethyl)piperazine, 98%
CAS: 13484-40-7 Molecular Formula: C7H16N2O Molecular Weight (g/mol): 144.21 MDL Number: MFCD00191214 InChI Key: BMEMBBFDTYHTLH-UHFFFAOYSA-N Synonym: 1-2-methoxyethyl piperazine,1-2-methoxyethyl-piperazine,1-2-methoxy-ethyl-piperazine,piperazine, 1-2-methoxyethyl,1-methoxy-2-piperazinylethane,pubchem14209,2-methoxyethylpiperazine,n-methoxyethyl piperazine,2-methoxyethyl piperazine,n-methoxyethylylpiperazine PubChem CID: 2734638 IUPAC Name: 1-(2-methoxyethyl)piperazine SMILES: COCCN1CCNCC1
| PubChem CID | 2734638 |
|---|---|
| CAS | 13484-40-7 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00191214 |
| SMILES | COCCN1CCNCC1 |
| Synonym | 1-2-methoxyethyl piperazine,1-2-methoxyethyl-piperazine,1-2-methoxy-ethyl-piperazine,piperazine, 1-2-methoxyethyl,1-methoxy-2-piperazinylethane,pubchem14209,2-methoxyethylpiperazine,n-methoxyethyl piperazine,2-methoxyethyl piperazine,n-methoxyethylylpiperazine |
| IUPAC Name | 1-(2-methoxyethyl)piperazine |
| InChI Key | BMEMBBFDTYHTLH-UHFFFAOYSA-N |
| Molecular Formula | C7H16N2O |
6-Bromo-2-picoline, 97%
CAS: 5315-25-3 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.03 MDL Number: MFCD00040743 InChI Key: SOHDPICLICFSOP-UHFFFAOYSA-N Synonym: 2-bromo-6-picoline,6-bromo-2-picoline,6-bromo-2-methylpyridine,2-bromo-6-methyl-pyridine,2-bromo-6-methyl pyridine,2-brom-6-methylpyridin,pyridine, 2-bromo-6-methyl,2-bromo-6-methy pyridine,6-bromopicoline,6-methyl-2-bromopyridine PubChem CID: 79205 IUPAC Name: 2-bromo-6-methylpyridine SMILES: CC1=CC=CC(Br)=N1
| PubChem CID | 79205 |
|---|---|
| CAS | 5315-25-3 |
| Molecular Weight (g/mol) | 172.03 |
| MDL Number | MFCD00040743 |
| SMILES | CC1=CC=CC(Br)=N1 |
| Synonym | 2-bromo-6-picoline,6-bromo-2-picoline,6-bromo-2-methylpyridine,2-bromo-6-methyl-pyridine,2-bromo-6-methyl pyridine,2-brom-6-methylpyridin,pyridine, 2-bromo-6-methyl,2-bromo-6-methy pyridine,6-bromopicoline,6-methyl-2-bromopyridine |
| IUPAC Name | 2-bromo-6-methylpyridine |
| InChI Key | SOHDPICLICFSOP-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrN |
Maleimide, 98+%
CAS: 541-59-3 Molecular Formula: C8H4AgKN2O4 Molecular Weight (g/mol): 339.10 MDL Number: MFCD00005494 InChI Key: KWLWLQRUFFGWNG-UHFFFAOYSA-L Synonym: maleimide,1h-pyrrole-2,5-dione,2,5-pyrroledione,maleinimide,maleic imide,3-pyrroline-2,5-dione,2,5-dihydro-1h-pyrrole-2,5-dione,unii-2519r1ugp8,ccris 3408,5-hydroxy-2h-pyrrol-2-one PubChem CID: 10935 ChEBI: CHEBI:16072 IUPAC Name: pyrrole-2,5-dione SMILES: [K+].[Ag+].O=C1[N-]C(=O)C=C1.O=C1[N-]C(=O)C=C1
| PubChem CID | 10935 |
|---|---|
| CAS | 541-59-3 |
| Molecular Weight (g/mol) | 339.10 |
| ChEBI | CHEBI:16072 |
| MDL Number | MFCD00005494 |
| SMILES | [K+].[Ag+].O=C1[N-]C(=O)C=C1.O=C1[N-]C(=O)C=C1 |
| Synonym | maleimide,1h-pyrrole-2,5-dione,2,5-pyrroledione,maleinimide,maleic imide,3-pyrroline-2,5-dione,2,5-dihydro-1h-pyrrole-2,5-dione,unii-2519r1ugp8,ccris 3408,5-hydroxy-2h-pyrrol-2-one |
| IUPAC Name | pyrrole-2,5-dione |
| InChI Key | KWLWLQRUFFGWNG-UHFFFAOYSA-L |
| Molecular Formula | C8H4AgKN2O4 |
2-Cyano-6-fluoropyridine, 95%
CAS: 3939-15-9 Molecular Formula: C6H3FN2 Molecular Weight (g/mol): 122.10 MDL Number: MFCD09263323 InChI Key: NVOLTPVZQXTZCW-UHFFFAOYSA-N Synonym: 2-cyano-6-fluoropyridine,6-fluoropicolinonitrile,2-pyridinecarbonitrile, 6-fluoro,6-fluoro-2-cyanopyridine;2-fluoro-6-cyanopyridine;6-fluoropicolinonitrile,pubchem4017,acmc-1cj0q,2-pyridinecarbonitrile,6-fluoro,6-fluoro-pyridine-2-carbonitrile,2-fluoropyridine-6-carbonitrile,6-fluoro-2-pyridinecarbonitrile PubChem CID: 14296369 IUPAC Name: 6-fluoropyridine-2-carbonitrile SMILES: FC1=CC=CC(=N1)C#N
| PubChem CID | 14296369 |
|---|---|
| CAS | 3939-15-9 |
| Molecular Weight (g/mol) | 122.10 |
| MDL Number | MFCD09263323 |
| SMILES | FC1=CC=CC(=N1)C#N |
| Synonym | 2-cyano-6-fluoropyridine,6-fluoropicolinonitrile,2-pyridinecarbonitrile, 6-fluoro,6-fluoro-2-cyanopyridine;2-fluoro-6-cyanopyridine;6-fluoropicolinonitrile,pubchem4017,acmc-1cj0q,2-pyridinecarbonitrile,6-fluoro,6-fluoro-pyridine-2-carbonitrile,2-fluoropyridine-6-carbonitrile,6-fluoro-2-pyridinecarbonitrile |
| IUPAC Name | 6-fluoropyridine-2-carbonitrile |
| InChI Key | NVOLTPVZQXTZCW-UHFFFAOYSA-N |
| Molecular Formula | C6H3FN2 |
2-Vinylpyrazine, 98%, stab. with ca 0.1% hydroquinone
CAS: 4177-16-6 Molecular Formula: C6H6N2 Molecular Weight (g/mol): 106.13 MDL Number: MFCD00051591 InChI Key: KANZWHBYRHQMKZ-UHFFFAOYSA-N Synonym: 2-vinylpyrazine,vinylpyrazine,pyrazine, ethenyl,pyrazine, vinyl,2-vinyl pyrazine,unii-y6tpk237o6,ethenylpyrazine,vinyl pyrazine,2ethenylpyrazine,acmc-20anmb PubChem CID: 77840 IUPAC Name: 2-ethenylpyrazine SMILES: C=CC1=CN=CC=N1
| PubChem CID | 77840 |
|---|---|
| CAS | 4177-16-6 |
| Molecular Weight (g/mol) | 106.13 |
| MDL Number | MFCD00051591 |
| SMILES | C=CC1=CN=CC=N1 |
| Synonym | 2-vinylpyrazine,vinylpyrazine,pyrazine, ethenyl,pyrazine, vinyl,2-vinyl pyrazine,unii-y6tpk237o6,ethenylpyrazine,vinyl pyrazine,2ethenylpyrazine,acmc-20anmb |
| IUPAC Name | 2-ethenylpyrazine |
| InChI Key | KANZWHBYRHQMKZ-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2 |
2-Phenyl-5-oxazolone, 97%
CAS: 1199-01-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00014517 InChI Key: QKCKCXFWENOGER-UHFFFAOYSA-N Synonym: 2-phenyloxazol-5 4h-one,phenyloxazolone,2-phenyl-5-oxazolone,2-phenyloxazolone,2-phenyloxazolin-5-one,5 4h-oxazolone, 2-phenyl,2-phenyl-5 4h-oxazolone,2-phenyl-1,3-oxazol-5 4h-one,2-phenyl-4h-oxazol-5-one,2-oxazolin-5-one, 2-phenyl PubChem CID: 65073 ChEBI: CHEBI:60296 IUPAC Name: 2-phenyl-4H-1,3-oxazol-5-one SMILES: C1C(=O)OC(=N1)C2=CC=CC=C2
| PubChem CID | 65073 |
|---|---|
| CAS | 1199-01-5 |
| Molecular Weight (g/mol) | 161.16 |
| ChEBI | CHEBI:60296 |
| MDL Number | MFCD00014517 |
| SMILES | C1C(=O)OC(=N1)C2=CC=CC=C2 |
| Synonym | 2-phenyloxazol-5 4h-one,phenyloxazolone,2-phenyl-5-oxazolone,2-phenyloxazolone,2-phenyloxazolin-5-one,5 4h-oxazolone, 2-phenyl,2-phenyl-5 4h-oxazolone,2-phenyl-1,3-oxazol-5 4h-one,2-phenyl-4h-oxazol-5-one,2-oxazolin-5-one, 2-phenyl |
| IUPAC Name | 2-phenyl-4H-1,3-oxazol-5-one |
| InChI Key | QKCKCXFWENOGER-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |