8-(3-methyl-1,2,4-triazol-1-yl)quinoline

C12H10N4 — CID 166607439

IUPAC8-(3-methyl-1,2,4-triazol-1-yl)quinoline
SMILESCc1ncn(-c2cccc3cccnc23)n1
InChIInChI=1S/C12H10N4/c1-9-14-8-16(15-9)11-6-2-4-10-5-3-7-13-12(10)11/h2-8H,1H3
InChIKeyNSJJAYIENRWJGL-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.12
Rot. Bonds1

About 8-(3-methyl-1,2,4-triazol-1-yl)quinoline

8-(3-methyl-1,2,4-triazol-1-yl)quinoline (PubChem CID 166607439) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 8-(3-methyl-1,2,4-triazol-1-yl)quinoline.

Molecular Properties

Compound Name8-(3-methyl-1,2,4-triazol-1-yl)quinoline
PubChem CID166607439
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name8-(3-methyl-1,2,4-triazol-1-yl)quinoline
SMILESCc1ncn(-c2cccc3cccnc23)n1
InChIInChI=1S/C12H10N4/c1-9-14-8-16(15-9)11-6-2-4-10-5-3-7-13-12(10)11/h2-8H,1H3
InChIKeyNSJJAYIENRWJGL-UHFFFAOYSA-N
XLogP2.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(3-methyl-1,2,4-triazol-1-yl)quinoline with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-bromo-3-methylphenyl)-3-methyl-1,2,4-triazole
CID 166607450
7-(3-methyl-1,2,4-triazol-1-yl)quinoline
CID 166607595
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
5-methyl-1-quinolin-8-yltriazol-4-amine
CID 79502676
3-fluoro-2-(3-methyl-1,2,4-triazol-1-yl)pyridine
CID 146515454
5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione
CID 81335602
8-[4-(bromomethyl)triazol-1-yl]quinoline
CID 62401361
3,4-dimethyl-5-methylidene-1-quinolin-8-ylpyrrol-2-one
CID 141397224
N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine
CID 46991106
11,12-di(quinolin-8-yl)indolo[2,3-a]carbazole
CID 58184810
8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline
CID 50955837
tris(quinolin-8-olate);zirconium-89(3+)
CID 155884448

Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-1,2,4-triazol-1-yl)quinoline?
The IUPAC name of 8-(3-methyl-1,2,4-triazol-1-yl)quinoline (CID 166607439) is 8-(3-methyl-1,2,4-triazol-1-yl)quinoline.
What is the SMILES notation for 8-(3-methyl-1,2,4-triazol-1-yl)quinoline?
The canonical SMILES for 8-(3-methyl-1,2,4-triazol-1-yl)quinoline is Cc1ncn(-c2cccc3cccnc23)n1.
What is the InChIKey of 8-(3-methyl-1,2,4-triazol-1-yl)quinoline?
The InChIKey is NSJJAYIENRWJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-9-14-8-16(15-9)11-6-2-4-10-5-3-7-13-12(10)11/h2-8H,1H3.
What are the key properties of 8-(3-methyl-1,2,4-triazol-1-yl)quinoline?
8-(3-methyl-1,2,4-triazol-1-yl)quinoline has a molecular weight of 210.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-1,2,4-triazol-1-yl)quinoline is sourced from PubChem (CID 166607439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).