3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

Name: 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₄N₄ — CID 117141938

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

SMILESCc1cccc(Cc2nnc3cccc(N)n23)c1

InChIInChI=1S/C14H14N4/c1-10-4-2-5-11(8-10)9-14-17-16-13-7-3-6-12(15)18(13)14/h2-8H,9,15H2,1H3

InChIKeyDGRFLEBMHKNQHB-UHFFFAOYSA-N

MW238.29 g/mol

LogP2.21

Rot. Bonds2

About 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 117141938) has the molecular formula C₁₄H₁₄N₄ and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound Name	3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID	117141938
Molecular Formula	C₁₄H₁₄N₄
Molecular Weight	238.29 g/mol
Exact Mass	238.12
IUPAC Name	3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILES	Cc1cccc(Cc2nnc3cccc(N)n23)c1
InChI	InChI=1S/C14H14N4/c1-10-4-2-5-11(8-10)9-14-17-16-13-7-3-6-12(15)18(13)14/h2-8H,9,15H2,1H3
InChIKey	DGRFLEBMHKNQHB-UHFFFAOYSA-N
XLogP	2.21
TPSA	56.21 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.29
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

The IUPAC name of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 117141938) is 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

What is the SMILES notation for 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

The canonical SMILES for 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is Cc1cccc(Cc2nnc3cccc(N)n23)c1.

What is the InChIKey of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

The InChIKey is DGRFLEBMHKNQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-4-2-5-11(8-10)9-14-17-16-13-7-3-6-12(15)18(13)14/h2-8H,9,15H2,1H3.

What are the key properties of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 238.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 117141938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 117141938 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.