(3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone

C15H12N4O — CID 114686157

IUPAC(3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone
SMILESCc1cnccc1C(=O)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H12N4O/c1-11-9-16-8-7-13(11)15(20)14-10-17-18-19(14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyJPQPUJLOXUMLMN-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.20
Rot. Bonds3

About (3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone

(3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone (PubChem CID 114686157) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is (3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone
PubChem CID114686157
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name(3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone
SMILESCc1cnccc1C(=O)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H12N4O/c1-11-9-16-8-7-13(11)15(20)14-10-17-18-19(14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyJPQPUJLOXUMLMN-UHFFFAOYSA-N
XLogP2.20
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 106865176
(5-fluoro-2-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685719
phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685691
(3-amino-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691816
(2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685541
(6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone
CID 114685792
(3-fluoro-5-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114686118
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685545
(3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 107977415
(4-aminophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691795
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone
CID 114685688

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone?
The IUPAC name of (3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone (CID 114686157) is (3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone?
The canonical SMILES for (3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone is Cc1cnccc1C(=O)c1cnnn1-c1ccccc1.
What is the InChIKey of (3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone?
The InChIKey is JPQPUJLOXUMLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-11-9-16-8-7-13(11)15(20)14-10-17-18-19(14)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of (3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone?
(3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone has a molecular weight of 264.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 114686157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).