2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine

C14H12N4 — CID 106754498

IUPAC2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine
SMILESCc1cc(-c2nncn2-c2ccccc2)ccn1
InChIInChI=1S/C14H12N4/c1-11-9-12(7-8-15-11)14-17-16-10-18(14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyRYSSDBYDEJNRBS-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.64
Rot. Bonds2

About 2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine

2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 106754498) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine
PubChem CID106754498
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine
SMILESCc1cc(-c2nncn2-c2ccccc2)ccn1
InChIInChI=1S/C14H12N4/c1-11-9-12(7-8-15-11)14-17-16-10-18(14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyRYSSDBYDEJNRBS-UHFFFAOYSA-N
XLogP2.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393413
3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole
CID 115393385
3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole
CID 115393476
4-(4-phenyl-1,2,4-triazol-3-yl)quinoline
CID 115393321
3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole
CID 115393480
3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole
CID 115393303
iodomethane;2-methyl-4-phenylpyridine
CID 143719183
1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine
CID 62709739
3-(5-chloro-2-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393449
3-(3-fluoro-5-nitrophenyl)-4-phenyl-1,2,4-triazole
CID 115393274
3-(4,5-dibromothiophen-2-yl)-4-phenyl-1,2,4-triazole
CID 113300923
4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 115412400

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine (CID 106754498) is 2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine is Cc1cc(-c2nncn2-c2ccccc2)ccn1.
What is the InChIKey of 2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is RYSSDBYDEJNRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-11-9-12(7-8-15-11)14-17-16-10-18(14)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine?
2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 236.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 106754498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).