[1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine

C13H13N5 — CID 55153081

IUPAC[1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine
SMILESCc1ccc2cccc(-n3cc(CN)nn3)c2n1
InChIInChI=1S/C13H13N5/c1-9-5-6-10-3-2-4-12(13(10)15-9)18-8-11(7-14)16-17-18/h2-6,8H,7,14H2,1H3
InChIKeyQNRVYBAXVGKKCM-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.58
Rot. Bonds2

About [1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine

[1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine (PubChem CID 55153081) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is [1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine
PubChem CID55153081
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name[1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine
SMILESCc1ccc2cccc(-n3cc(CN)nn3)c2n1
InChIInChI=1S/C13H13N5/c1-9-5-6-10-3-2-4-12(13(10)15-9)18-8-11(7-14)16-17-18/h2-6,8H,7,14H2,1H3
InChIKeyQNRVYBAXVGKKCM-UHFFFAOYSA-N
XLogP1.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(2-methylquinolin-8-yl)triazol-4-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 [1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine?
The IUPAC name of [1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine (CID 55153081) is [1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine is Cc1ccc2cccc(-n3cc(CN)nn3)c2n1.
What is the InChIKey of [1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine?
The InChIKey is QNRVYBAXVGKKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-5-6-10-3-2-4-12(13(10)15-9)18-8-11(7-14)16-17-18/h2-6,8H,7,14H2,1H3.
What are the key properties of [1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine?
[1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine has a molecular weight of 239.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylquinolin-8-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 55153081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).