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

C17H17N5OS — CID 2361353

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide
SMILESCn1cnnc1SCC(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N5OS/c1-21-13-18-19-17(21)24-12-16(23)20-22(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,20,23)
InChIKeyDRMJGEGHFYBEFF-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.78
Rot. Bonds6

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

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide (PubChem CID 2361353) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide
PubChem CID2361353
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide
SMILESCn1cnnc1SCC(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N5OS/c1-21-13-18-19-17(21)24-12-16(23)20-22(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,20,23)
InChIKeyDRMJGEGHFYBEFF-UHFFFAOYSA-N
XLogP2.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide (CID 2361353) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide is Cn1cnnc1SCC(=O)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide?
The InChIKey is DRMJGEGHFYBEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-21-13-18-19-17(21)24-12-16(23)20-22(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,20,23).
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide has a molecular weight of 339.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide is sourced from PubChem (CID 2361353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).