2-[1-(4-methylphenyl)triazol-4-yl]pyridine

C14H12N4 — CID 56835100

IUPAC2-[1-(4-methylphenyl)triazol-4-yl]pyridine
SMILESCc1ccc(-n2cc(-c3ccccn3)nn2)cc1
InChIInChI=1S/C14H12N4/c1-11-5-7-12(8-6-11)18-10-14(16-17-18)13-4-2-3-9-15-13/h2-10H,1H3
InChIKeyVDJCDOIEFXBRLI-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.64
Rot. Bonds2

About 2-[1-(4-methylphenyl)triazol-4-yl]pyridine

2-[1-(4-methylphenyl)triazol-4-yl]pyridine (PubChem CID 56835100) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)triazol-4-yl]pyridine
PubChem CID56835100
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-[1-(4-methylphenyl)triazol-4-yl]pyridine
SMILESCc1ccc(-n2cc(-c3ccccn3)nn2)cc1
InChIInChI=1S/C14H12N4/c1-11-5-7-12(8-6-11)18-10-14(16-17-18)13-4-2-3-9-15-13/h2-10H,1H3
InChIKeyVDJCDOIEFXBRLI-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)triazol-4-yl]pyridine?
The IUPAC name of 2-[1-(4-methylphenyl)triazol-4-yl]pyridine (CID 56835100) is 2-[1-(4-methylphenyl)triazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-(4-methylphenyl)triazol-4-yl]pyridine?
The canonical SMILES for 2-[1-(4-methylphenyl)triazol-4-yl]pyridine is Cc1ccc(-n2cc(-c3ccccn3)nn2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)triazol-4-yl]pyridine?
The InChIKey is VDJCDOIEFXBRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-11-5-7-12(8-6-11)18-10-14(16-17-18)13-4-2-3-9-15-13/h2-10H,1H3.
What are the key properties of 2-[1-(4-methylphenyl)triazol-4-yl]pyridine?
2-[1-(4-methylphenyl)triazol-4-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-[1-(4-methylphenyl)triazol-4-yl]pyridine is sourced from PubChem (CID 56835100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).