1,5-diphenyl-1,2,4-triazole-3-carbohydrazide

C15H13N5O — CID 2451355

IUPAC1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
SMILESNNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C15H13N5O/c16-18-15(21)13-17-14(11-7-3-1-4-8-11)20(19-13)12-9-5-2-6-10-12/h1-10H,16H2,(H,18,21)
InChIKeySZMLCDPIFRXCDE-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.54
Rot. Bonds3

About 1,5-diphenyl-1,2,4-triazole-3-carbohydrazide

1,5-diphenyl-1,2,4-triazole-3-carbohydrazide (PubChem CID 2451355) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 1,5-diphenyl-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound Name1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
PubChem CID2451355
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
SMILESNNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C15H13N5O/c16-18-15(21)13-17-14(11-7-3-1-4-8-11)20(19-13)12-9-5-2-6-10-12/h1-10H,16H2,(H,18,21)
InChIKeySZMLCDPIFRXCDE-UHFFFAOYSA-N
XLogP1.54
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]butanoate
CID 37258916
N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 112771643
(3S)-3-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 71240288
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4851911
N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 35929530
N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2448076
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide
CID 46652364
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470
(3S)-3-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71268833
N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 30992875
N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 135688694
N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 3378020

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of 1,5-diphenyl-1,2,4-triazole-3-carbohydrazide (CID 2451355) is 1,5-diphenyl-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for 1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for 1,5-diphenyl-1,2,4-triazole-3-carbohydrazide is NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The InChIKey is SZMLCDPIFRXCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-18-15(21)13-17-14(11-7-3-1-4-8-11)20(19-13)12-9-5-2-6-10-12/h1-10H,16H2,(H,18,21).
What are the key properties of 1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide has a molecular weight of 279.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 2451355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).