2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide

C16H16N6OS — CID 2395906

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide
SMILESNc1nc(SCC(=O)NN(c2ccccc2)c2ccccc2)n[nH]1
InChIInChI=1S/C16H16N6OS/c17-15-18-16(20-19-15)24-11-14(23)21-22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,21,23)(H3,17,18,19,20)
InChIKeyPCAFYBKPGXXGTG-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.35
Rot. Bonds6

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide (PubChem CID 2395906) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide
PubChem CID2395906
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide
SMILESNc1nc(SCC(=O)NN(c2ccccc2)c2ccccc2)n[nH]1
InChIInChI=1S/C16H16N6OS/c17-15-18-16(20-19-15)24-11-14(23)21-22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,21,23)(H3,17,18,19,20)
InChIKeyPCAFYBKPGXXGTG-UHFFFAOYSA-N
XLogP2.35
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 2364876
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 4162755
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 5102802
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetohydrazide
CID 671673
N',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide
CID 2342815
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 2398938
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4272280
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 4830862
2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1264139
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
CID 4803459
Acetamide, 2-(5-amino-2-phenyl-2H-[1,2,4]triazol-3-ylsulfanyl)-N-methyl-N-phenyl-
CID 715162
1-phenyl-3-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1H-pyrazol-5-ol
CID 16419713

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide (CID 2395906) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide is Nc1nc(SCC(=O)NN(c2ccccc2)c2ccccc2)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide?
The InChIKey is PCAFYBKPGXXGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c17-15-18-16(20-19-15)24-11-14(23)21-22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,21,23)(H3,17,18,19,20).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide has a molecular weight of 340.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide is sourced from PubChem (CID 2395906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).