2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pyridine

C14H12N4 — CID 71351276

IUPAC2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pyridine
SMILESCc1nnc(-c2ccccn2)n1-c1ccccc1
InChIInChI=1S/C14H12N4/c1-11-16-17-14(13-9-5-6-10-15-13)18(11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyAFMZHPFTWLUICX-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.64
Rot. Bonds2

About 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pyridine

2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 71351276) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pyridine
PubChem CID71351276
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pyridine
SMILESCc1nnc(-c2ccccn2)n1-c1ccccc1
InChIInChI=1S/C14H12N4/c1-11-16-17-14(13-9-5-6-10-15-13)18(11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyAFMZHPFTWLUICX-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

2-(3-(Pyridin-4-yl)-1H-1,2,4-triazol-5-yl)pyridine
CID 2803172
4-Amino-3,5-di-2-pyridyl-4H-1,2,4-triazole
CID 571203
2-(3-(2-Pyridinyl)-1H-1,2,4-triazol-5-yl)pyridine
CID 314836
1-Methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine
CID 10220948
3-(2-Methyl-1H-imidazol-1-yl)pyridine
CID 16654686
3,5-bis(2-methylpyridin-4-yl)-1H-1,2,4-triazole
CID 20309751
2-Methyl-7-(2-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 610950
N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 654516
2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 2501092
N-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylene)-4H-1,2,4-triazol-4-amine
CID 6858549
3-phenyl-3H-imidazo(4,5-b)pyridine
CID 5328491
2-(3-methyl-1H-1,2,4-triazol-5-yl)pyridine
CID 12787364

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pyridine (CID 71351276) is 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pyridine is Cc1nnc(-c2ccccn2)n1-c1ccccc1.
What is the InChIKey of 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is AFMZHPFTWLUICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-11-16-17-14(13-9-5-6-10-15-13)18(11)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pyridine?
2-(5-methyl-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-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 71351276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).