(1-methyltriazol-4-yl)-quinolin-3-ylmethanone

C13H10N4O — CID 112735750

IUPAC(1-methyltriazol-4-yl)-quinolin-3-ylmethanone
SMILESCn1cc(C(=O)c2cnc3ccccc3c2)nn1
InChIInChI=1S/C13H10N4O/c1-17-8-12(15-16-17)13(18)10-6-9-4-2-3-5-11(9)14-7-10/h2-8H,1H3
InChIKeyIOAAYMLFVBHJNA-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.59
Rot. Bonds2

About (1-methyltriazol-4-yl)-quinolin-3-ylmethanone

(1-methyltriazol-4-yl)-quinolin-3-ylmethanone (PubChem CID 112735750) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is (1-methyltriazol-4-yl)-quinolin-3-ylmethanone.

Molecular Properties

Compound Name(1-methyltriazol-4-yl)-quinolin-3-ylmethanone
PubChem CID112735750
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name(1-methyltriazol-4-yl)-quinolin-3-ylmethanone
SMILESCn1cc(C(=O)c2cnc3ccccc3c2)nn1
InChIInChI=1S/C13H10N4O/c1-17-8-12(15-16-17)13(18)10-6-9-4-2-3-5-11(9)14-7-10/h2-8H,1H3
InChIKeyIOAAYMLFVBHJNA-UHFFFAOYSA-N
XLogP1.59
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methyltriazol-4-yl)-quinolin-3-ylmethanone 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-methyltriazol-4-yl)-quinolin-3-ylmethanone?
The IUPAC name of (1-methyltriazol-4-yl)-quinolin-3-ylmethanone (CID 112735750) is (1-methyltriazol-4-yl)-quinolin-3-ylmethanone.
What is the SMILES notation for (1-methyltriazol-4-yl)-quinolin-3-ylmethanone?
The canonical SMILES for (1-methyltriazol-4-yl)-quinolin-3-ylmethanone is Cn1cc(C(=O)c2cnc3ccccc3c2)nn1.
What is the InChIKey of (1-methyltriazol-4-yl)-quinolin-3-ylmethanone?
The InChIKey is IOAAYMLFVBHJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c1-17-8-12(15-16-17)13(18)10-6-9-4-2-3-5-11(9)14-7-10/h2-8H,1H3.
What are the key properties of (1-methyltriazol-4-yl)-quinolin-3-ylmethanone?
(1-methyltriazol-4-yl)-quinolin-3-ylmethanone has a molecular weight of 238.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyltriazol-4-yl)-quinolin-3-ylmethanone is sourced from PubChem (CID 112735750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).