2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide

C10H12N6OS — CID 63581836

IUPAC2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
SMILESNNC(=O)c1ccccc1CSc1nncn1N
InChIInChI=1S/C10H12N6OS/c11-14-9(17)8-4-2-1-3-7(8)5-18-10-15-13-6-16(10)12/h1-4,6H,5,11-12H2,(H,14,17)
InChIKeyVNDFBNBINSFFFC-UHFFFAOYSA-N
MW264.31 g/mol
LogP-0.11
Rot. Bonds4

About 2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide

2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide (PubChem CID 63581836) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide.

Molecular Properties

Compound Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
PubChem CID63581836
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
SMILESNNC(=O)c1ccccc1CSc1nncn1N
InChIInChI=1S/C10H12N6OS/c11-14-9(17)8-4-2-1-3-7(8)5-18-10-15-13-6-16(10)12/h1-4,6H,5,11-12H2,(H,14,17)
InChIKeyVNDFBNBINSFFFC-UHFFFAOYSA-N
XLogP-0.11
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352430
3-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 3520280
5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 55213514
2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
CID 63582300
5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581833
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
CID 63582173
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8567177
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 3898863
2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 79146518
2-[[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 7595701
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]benzohydrazide
CID 63582368
2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 79142609

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide?
The IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide (CID 63581836) is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide.
What is the SMILES notation for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide?
The canonical SMILES for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide is NNC(=O)c1ccccc1CSc1nncn1N.
What is the InChIKey of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide?
The InChIKey is VNDFBNBINSFFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c11-14-9(17)8-4-2-1-3-7(8)5-18-10-15-13-6-16(10)12/h1-4,6H,5,11-12H2,(H,14,17).
What are the key properties of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide?
2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide has a molecular weight of 264.31 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide is sourced from PubChem (CID 63581836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).