[4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine

C14H20N4 — CID 113310564

IUPAC[4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nnc3ccccn23)CC1
InChIInChI=1S/C14H20N4/c1-11-5-7-14(10-15,8-6-11)13-17-16-12-4-2-3-9-18(12)13/h2-4,9,11H,5-8,10,15H2,1H3
InChIKeyNTPXPSFAOAOUTJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.14
Rot. Bonds2

About [4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine

[4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine (PubChem CID 113310564) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is [4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine
PubChem CID113310564
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name[4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nnc3ccccn23)CC1
InChIInChI=1S/C14H20N4/c1-11-5-7-14(10-15,8-6-11)13-17-16-12-4-2-3-9-18(12)13/h2-4,9,11H,5-8,10,15H2,1H3
InChIKeyNTPXPSFAOAOUTJ-UHFFFAOYSA-N
XLogP2.14
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine (CID 113310564) is [4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine is CC1CCC(CN)(c2nnc3ccccn23)CC1.
What is the InChIKey of [4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine?
The InChIKey is NTPXPSFAOAOUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11-5-7-14(10-15,8-6-11)13-17-16-12-4-2-3-9-18(12)13/h2-4,9,11H,5-8,10,15H2,1H3.
What are the key properties of [4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine?
[4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine is sourced from PubChem (CID 113310564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).