(1-phenyltriazol-4-yl)-pyridin-2-ylmethanone

C14H10N4O — CID 132534234

IUPAC(1-phenyltriazol-4-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C14H10N4O/c19-14(12-8-4-5-9-15-12)13-10-18(17-16-13)11-6-2-1-3-7-11/h1-10H
InChIKeySEYGQGATYPZULF-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.89
Rot. Bonds3

About (1-phenyltriazol-4-yl)-pyridin-2-ylmethanone

(1-phenyltriazol-4-yl)-pyridin-2-ylmethanone (PubChem CID 132534234) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is (1-phenyltriazol-4-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(1-phenyltriazol-4-yl)-pyridin-2-ylmethanone
PubChem CID132534234
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name(1-phenyltriazol-4-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C14H10N4O/c19-14(12-8-4-5-9-15-12)13-10-18(17-16-13)11-6-2-1-3-7-11/h1-10H
InChIKeySEYGQGATYPZULF-UHFFFAOYSA-N
XLogP1.89
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide
CID 46407148
2-(1-phenyltriazole-4-carbonyl)benzoic acid
CID 46949537
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 86929338
(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
1-phenyltriazole-4-carbothioamide
CID 50989602
N'-hydroxy-1-phenyltriazole-4-carboximidamide
CID 136829523
bis(1-pyrimidin-4-yltriazol-4-yl)methanone
CID 150797462
N-cyano-1-phenyltriazole-4-carboxamide
CID 79194691
N,N-diethyl-1-phenyltriazole-4-carboxamide
CID 15048681
CID 173156131
CID 173156131
1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide
CID 99586321
oxovanadium;bis(pyridine-2-carboxylic acid)
CID 73357763

Frequently Asked Questions

What is the IUPAC name of (1-phenyltriazol-4-yl)-pyridin-2-ylmethanone?
The IUPAC name of (1-phenyltriazol-4-yl)-pyridin-2-ylmethanone (CID 132534234) is (1-phenyltriazol-4-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (1-phenyltriazol-4-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (1-phenyltriazol-4-yl)-pyridin-2-ylmethanone is O=C(c1ccccn1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of (1-phenyltriazol-4-yl)-pyridin-2-ylmethanone?
The InChIKey is SEYGQGATYPZULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c19-14(12-8-4-5-9-15-12)13-10-18(17-16-13)11-6-2-1-3-7-11/h1-10H.
What are the key properties of (1-phenyltriazol-4-yl)-pyridin-2-ylmethanone?
(1-phenyltriazol-4-yl)-pyridin-2-ylmethanone has a molecular weight of 250.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyltriazol-4-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 132534234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).