N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine

C8H10N4 — CID 83866629

IUPACN-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
SMILESCNCc1ccc2nncn2c1
InChIInChI=1S/C8H10N4/c1-9-4-7-2-3-8-11-10-6-12(8)5-7/h2-3,5-6,9H,4H2,1H3
InChIKeyNPEXWTATAFCVAD-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.45
Rot. Bonds2

About N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine

N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine (PubChem CID 83866629) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
PubChem CID83866629
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC NameN-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
SMILESCNCc1ccc2nncn2c1
InChIInChI=1S/C8H10N4/c1-9-4-7-2-3-8-11-10-6-12(8)5-7/h2-3,5-6,9H,4H2,1H3
InChIKeyNPEXWTATAFCVAD-UHFFFAOYSA-N
XLogP0.45
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)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 N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The IUPAC name of N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine (CID 83866629) is N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine.
What is the SMILES notation for N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The canonical SMILES for N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine is CNCc1ccc2nncn2c1.
What is the InChIKey of N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The InChIKey is NPEXWTATAFCVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-9-4-7-2-3-8-11-10-6-12(8)5-7/h2-3,5-6,9H,4H2,1H3.
What are the key properties of N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine has a molecular weight of 162.20 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine is sourced from PubChem (CID 83866629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).