1-(1-quinolin-6-yltriazol-4-yl)ethanol

C13H12N4O — CID 81444375

IUPAC1-(1-quinolin-6-yltriazol-4-yl)ethanol
SMILESCC(O)c1cn(-c2ccc3ncccc3c2)nn1
InChIInChI=1S/C13H12N4O/c1-9(18)13-8-17(16-15-13)11-4-5-12-10(7-11)3-2-6-14-12/h2-9,18H,1H3
InChIKeyAAHNOBUBEHZKNP-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.87
Rot. Bonds2

About 1-(1-quinolin-6-yltriazol-4-yl)ethanol

1-(1-quinolin-6-yltriazol-4-yl)ethanol (PubChem CID 81444375) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(1-quinolin-6-yltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-quinolin-6-yltriazol-4-yl)ethanol
PubChem CID81444375
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name1-(1-quinolin-6-yltriazol-4-yl)ethanol
SMILESCC(O)c1cn(-c2ccc3ncccc3c2)nn1
InChIInChI=1S/C13H12N4O/c1-9(18)13-8-17(16-15-13)11-4-5-12-10(7-11)3-2-6-14-12/h2-9,18H,1H3
InChIKeyAAHNOBUBEHZKNP-UHFFFAOYSA-N
XLogP1.87
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-quinolin-6-yltriazol-4-yl)ethanol 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-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol
CID 81444006
6-[4-(bromomethyl)triazol-1-yl]quinoline
CID 62634784
2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine
CID 66206720
(1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol
CID 129393826
5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole
CID 167793067
1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol
CID 81445194
1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol
CID 81444929
(1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol
CID 129393823
(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 129393829
(1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol
CID 129393821
1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine
CID 55097451
1-(1-naphthalen-1-yltriazol-4-yl)ethanol
CID 81445099

Frequently Asked Questions

What is the IUPAC name of 1-(1-quinolin-6-yltriazol-4-yl)ethanol?
The IUPAC name of 1-(1-quinolin-6-yltriazol-4-yl)ethanol (CID 81444375) is 1-(1-quinolin-6-yltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(1-quinolin-6-yltriazol-4-yl)ethanol?
The canonical SMILES for 1-(1-quinolin-6-yltriazol-4-yl)ethanol is CC(O)c1cn(-c2ccc3ncccc3c2)nn1.
What is the InChIKey of 1-(1-quinolin-6-yltriazol-4-yl)ethanol?
The InChIKey is AAHNOBUBEHZKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9(18)13-8-17(16-15-13)11-4-5-12-10(7-11)3-2-6-14-12/h2-9,18H,1H3.
What are the key properties of 1-(1-quinolin-6-yltriazol-4-yl)ethanol?
1-(1-quinolin-6-yltriazol-4-yl)ethanol has a molecular weight of 240.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-quinolin-6-yltriazol-4-yl)ethanol is sourced from PubChem (CID 81444375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).