6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline

C14H14N4 — CID 115393947

IUPAC6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline
SMILESCC(C)n1cnnc1-c1ccc2ncccc2c1
InChIInChI=1S/C14H14N4/c1-10(2)18-9-16-17-14(18)12-5-6-13-11(8-12)4-3-7-15-13/h3-10H,1-2H3
InChIKeyPZNXIRZUHRASCV-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.07
Rot. Bonds2

About 6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline

6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline (PubChem CID 115393947) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline.

Molecular Properties

Compound Name6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline
PubChem CID115393947
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline
SMILESCC(C)n1cnnc1-c1ccc2ncccc2c1
InChIInChI=1S/C14H14N4/c1-10(2)18-9-16-17-14(18)12-5-6-13-11(8-12)4-3-7-15-13/h3-10H,1-2H3
InChIKeyPZNXIRZUHRASCV-UHFFFAOYSA-N
XLogP3.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-propan-2-yl-1,2,4-triazol-3-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

2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine
CID 115393932
4-propan-2-yl-3-quinolin-6-yl-1H-1,2,4-triazole-5-thione
CID 115390219
6-(3-methylphenyl)quinoline
CID 4185278
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine
CID 62695844
1-propan-2-yl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905152
1-methyl-2-quinolin-6-ylimidazol-4-ol
CID 106952318
6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875043
1-(2-chloro-4-quinolin-6-ylphenyl)ethanamine
CID 82781912
6-methylquinoline
CID 7059
2-quinolin-6-ylpropan-1-amine
CID 79002101
4-methyl-3-quinolin-6-ylaniline
CID 81224667

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline?
The IUPAC name of 6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline (CID 115393947) is 6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline.
What is the SMILES notation for 6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline?
The canonical SMILES for 6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline is CC(C)n1cnnc1-c1ccc2ncccc2c1.
What is the InChIKey of 6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline?
The InChIKey is PZNXIRZUHRASCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10(2)18-9-16-17-14(18)12-5-6-13-11(8-12)4-3-7-15-13/h3-10H,1-2H3.
What are the key properties of 6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline?
6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline has a molecular weight of 238.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline is sourced from PubChem (CID 115393947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).