(1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol

C9H15N3O — CID 130567036

IUPAC(1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol
SMILESC[C@@H](O)c1cnnn1CC1CCC1
InChIInChI=1S/C9H15N3O/c1-7(13)9-5-10-11-12(9)6-8-3-2-4-8/h5,7-8,13H,2-4,6H2,1H3/t7-/m1/s1
InChIKeyOAJLTVPZGNHILJ-SSDOTTSWSA-N
MW181.24 g/mol
LogP1.13
Rot. Bonds3

About (1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol

(1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol (PubChem CID 130567036) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol
PubChem CID130567036
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol
SMILESC[C@@H](O)c1cnnn1CC1CCC1
InChIInChI=1S/C9H15N3O/c1-7(13)9-5-10-11-12(9)6-8-3-2-4-8/h5,7-8,13H,2-4,6H2,1H3/t7-/m1/s1
InChIKeyOAJLTVPZGNHILJ-SSDOTTSWSA-N
XLogP1.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[3-(cyclobutylmethyl)triazol-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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol?
The IUPAC name of (1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol (CID 130567036) is (1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol?
The canonical SMILES for (1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol is C[C@@H](O)c1cnnn1CC1CCC1.
What is the InChIKey of (1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol?
The InChIKey is OAJLTVPZGNHILJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(13)9-5-10-11-12(9)6-8-3-2-4-8/h5,7-8,13H,2-4,6H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol?
(1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol has a molecular weight of 181.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 130567036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).