2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

C16H15N5OS — CID 728570

IUPAC2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
SMILESNNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H15N5OS/c17-18-14(22)11-23-16-20-19-15(12-7-3-1-4-8-12)21(16)13-9-5-2-6-10-13/h1-10H,11,17H2,(H,18,22)
InChIKeyWDPSOMKCCCJRCE-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.02
Rot. Bonds5

About 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide (PubChem CID 728570) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
PubChem CID728570
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
SMILESNNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H15N5OS/c17-18-14(22)11-23-16-20-19-15(12-7-3-1-4-8-12)21(16)13-9-5-2-6-10-13/h1-10H,11,17H2,(H,18,22)
InChIKeyWDPSOMKCCCJRCE-UHFFFAOYSA-N
XLogP2.02
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
The IUPAC name of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide (CID 728570) is 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide.
What is the SMILES notation for 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
The canonical SMILES for 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide is NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
The InChIKey is WDPSOMKCCCJRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c17-18-14(22)11-23-16-20-19-15(12-7-3-1-4-8-12)21(16)13-9-5-2-6-10-13/h1-10H,11,17H2,(H,18,22).
What are the key properties of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide has a molecular weight of 325.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide is sourced from PubChem (CID 728570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).