4-[3-(2-methylphenyl)triazol-4-yl]pyridine

C14H12N4 — CID 57398900

IUPAC4-[3-(2-methylphenyl)triazol-4-yl]pyridine
SMILESCc1ccccc1-n1nncc1-c1ccncc1
InChIInChI=1S/C14H12N4/c1-11-4-2-3-5-13(11)18-14(10-16-17-18)12-6-8-15-9-7-12/h2-10H,1H3
InChIKeyHSOKTKATJFFUFV-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.64
Rot. Bonds2

About 4-[3-(2-methylphenyl)triazol-4-yl]pyridine

4-[3-(2-methylphenyl)triazol-4-yl]pyridine (PubChem CID 57398900) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-[3-(2-methylphenyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(2-methylphenyl)triazol-4-yl]pyridine
PubChem CID57398900
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name4-[3-(2-methylphenyl)triazol-4-yl]pyridine
SMILESCc1ccccc1-n1nncc1-c1ccncc1
InChIInChI=1S/C14H12N4/c1-11-4-2-3-5-13(11)18-14(10-16-17-18)12-6-8-15-9-7-12/h2-10H,1H3
InChIKeyHSOKTKATJFFUFV-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 4-[3-(2-methylphenyl)triazol-4-yl]pyridine?
The IUPAC name of 4-[3-(2-methylphenyl)triazol-4-yl]pyridine (CID 57398900) is 4-[3-(2-methylphenyl)triazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(2-methylphenyl)triazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(2-methylphenyl)triazol-4-yl]pyridine is Cc1ccccc1-n1nncc1-c1ccncc1.
What is the InChIKey of 4-[3-(2-methylphenyl)triazol-4-yl]pyridine?
The InChIKey is HSOKTKATJFFUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-11-4-2-3-5-13(11)18-14(10-16-17-18)12-6-8-15-9-7-12/h2-10H,1H3.
What are the key properties of 4-[3-(2-methylphenyl)triazol-4-yl]pyridine?
4-[3-(2-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 4-[3-(2-methylphenyl)triazol-4-yl]pyridine is sourced from PubChem (CID 57398900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).