3-{[(3-nitrophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
3-{[(3-nitrophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine
3-{[(3-nitrophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine
Compound characteristics
Compound ID: | Y020-7315 |
Compound Name: | 3-{[(3-nitrophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine |
Molecular Weight: | 251.26 |
Molecular Formula: | C9 H9 N5 O2 S |
Smiles: | C(c1cccc(c1)[N+]([O-])=O)Sc1nc(N)[nH]n1 |
Stereo: | ACHIRAL |
logP: | 1.617 |
logD: | 1.6126 |
logSw: | -2.3221 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 86.593 |
InChI Key: | NFTSRDVKUPZNRW-UHFFFAOYSA-N |