(6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone

C15H12N4O — CID 114685792

IUPAC(6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone
SMILESCc1cccc(C(=O)c2cnnn2-c2ccccc2)n1
InChIInChI=1S/C15H12N4O/c1-11-6-5-9-13(17-11)15(20)14-10-16-18-19(14)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyPXFSHDBTXMBRJS-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.20
Rot. Bonds3

About (6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone

(6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone (PubChem CID 114685792) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone
PubChem CID114685792
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name(6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone
SMILESCc1cccc(C(=O)c2cnnn2-c2ccccc2)n1
InChIInChI=1S/C15H12N4O/c1-11-6-5-9-13(17-11)15(20)14-10-16-18-19(14)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyPXFSHDBTXMBRJS-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

phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
(3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105131202
(3-amino-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691816
(3-fluoro-5-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114686118
(3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone
CID 114686157
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685545
(4-aminophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691795
(3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 107977415
(2-chloro-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 106865176
(5-fluoro-2-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685719
(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685691
(2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685541

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone?
The IUPAC name of (6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone (CID 114685792) is (6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone?
The canonical SMILES for (6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone is Cc1cccc(C(=O)c2cnnn2-c2ccccc2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone?
The InChIKey is PXFSHDBTXMBRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-11-6-5-9-13(17-11)15(20)14-10-16-18-19(14)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of (6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone?
(6-methyl-2-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 (6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 114685792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).