(1-cyclopentyltriazol-4-yl)methanol

C8H13N3O — CID 62399958

IUPAC(1-cyclopentyltriazol-4-yl)methanol
SMILESOCc1cn(C2CCCC2)nn1
InChIInChI=1S/C8H13N3O/c12-6-7-5-11(10-9-7)8-3-1-2-4-8/h5,8,12H,1-4,6H2
InChIKeyCGVQGJNXJICZAD-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.89
Rot. Bonds2

About (1-cyclopentyltriazol-4-yl)methanol

(1-cyclopentyltriazol-4-yl)methanol (PubChem CID 62399958) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (1-cyclopentyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-cyclopentyltriazol-4-yl)methanol
PubChem CID62399958
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(1-cyclopentyltriazol-4-yl)methanol
SMILESOCc1cn(C2CCCC2)nn1
InChIInChI=1S/C8H13N3O/c12-6-7-5-11(10-9-7)8-3-1-2-4-8/h5,8,12H,1-4,6H2
InChIKeyCGVQGJNXJICZAD-UHFFFAOYSA-N
XLogP0.89
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-cyclopentyltriazol-4-yl)methanol 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-cyclopentyltriazol-4-yl)methanol?
The IUPAC name of (1-cyclopentyltriazol-4-yl)methanol (CID 62399958) is (1-cyclopentyltriazol-4-yl)methanol.
What is the SMILES notation for (1-cyclopentyltriazol-4-yl)methanol?
The canonical SMILES for (1-cyclopentyltriazol-4-yl)methanol is OCc1cn(C2CCCC2)nn1.
What is the InChIKey of (1-cyclopentyltriazol-4-yl)methanol?
The InChIKey is CGVQGJNXJICZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-6-7-5-11(10-9-7)8-3-1-2-4-8/h5,8,12H,1-4,6H2.
What are the key properties of (1-cyclopentyltriazol-4-yl)methanol?
(1-cyclopentyltriazol-4-yl)methanol has a molecular weight of 167.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyltriazol-4-yl)methanol is sourced from PubChem (CID 62399958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).