2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine

C14H12N4 — CID 57329790

IUPAC2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine
SMILESc1ccc(-c2ccc(Cn3cnnc3)cn2)cc1
InChIInChI=1S/C14H12N4/c1-2-4-13(5-3-1)14-7-6-12(8-15-14)9-18-10-16-17-11-18/h1-8,10-11H,9H2
InChIKeyHMUUTSDQOMJNKP-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.39
Rot. Bonds3

About 2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine

2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine (PubChem CID 57329790) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine.

Molecular Properties

Compound Name2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine
PubChem CID57329790
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine
SMILESc1ccc(-c2ccc(Cn3cnnc3)cn2)cc1
InChIInChI=1S/C14H12N4/c1-2-4-13(5-3-1)14-7-6-12(8-15-14)9-18-10-16-17-11-18/h1-8,10-11H,9H2
InChIKeyHMUUTSDQOMJNKP-UHFFFAOYSA-N
XLogP2.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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3-(4-Pyridin-2-yl-imidazol-1-yl)-benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine?
The IUPAC name of 2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine (CID 57329790) is 2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine.
What is the SMILES notation for 2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine?
The canonical SMILES for 2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine is c1ccc(-c2ccc(Cn3cnnc3)cn2)cc1.
What is the InChIKey of 2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine?
The InChIKey is HMUUTSDQOMJNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-2-4-13(5-3-1)14-7-6-12(8-15-14)9-18-10-16-17-11-18/h1-8,10-11H,9H2.
What are the key properties of 2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine?
2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine has a molecular weight of 236.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine is sourced from PubChem (CID 57329790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).