N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide

C15H12N6O2 — CID 46407148

IUPACN'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cn(-c2ccccc2)nn1)c1ccccn1
InChIInChI=1S/C15H12N6O2/c22-14(12-8-4-5-9-16-12)18-19-15(23)13-10-21(20-17-13)11-6-2-1-3-7-11/h1-10H,(H,18,22)(H,19,23)
InChIKeyADMUNNKMTSZHKR-UHFFFAOYSA-N
MW308.30 g/mol
LogP0.74
Rot. Bonds3

About N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide

N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide (PubChem CID 46407148) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide
PubChem CID46407148
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC NameN'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cn(-c2ccccc2)nn1)c1ccccn1
InChIInChI=1S/C15H12N6O2/c22-14(12-8-4-5-9-16-12)18-19-15(23)13-10-21(20-17-13)11-6-2-1-3-7-11/h1-10H,(H,18,22)(H,19,23)
InChIKeyADMUNNKMTSZHKR-UHFFFAOYSA-N
XLogP0.74
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1-phenyltriazol-4-yl)-pyridin-2-ylmethanone
CID 132534234
N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide
CID 46422486
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 86929338
1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide
CID 78861023
N-cyano-1-phenyltriazole-4-carboxamide
CID 79194691
N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide
CID 39087725
1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide
CID 99586321
2-methyl-2-[(1-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61261546
1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide
CID 43429821
3-chloro-5-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 146121578
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide
CID 43066169
N-(4-hydroxybutyl)-1-phenyltriazole-4-carboxamide
CID 106843500

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide?
The IUPAC name of N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide (CID 46407148) is N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide is O=C(NNC(=O)c1cn(-c2ccccc2)nn1)c1ccccn1.
What is the InChIKey of N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide?
The InChIKey is ADMUNNKMTSZHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c22-14(12-8-4-5-9-16-12)18-19-15(23)13-10-21(20-17-13)11-6-2-1-3-7-11/h1-10H,(H,18,22)(H,19,23).
What are the key properties of N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide?
N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide has a molecular weight of 308.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 46407148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).