[5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol

C13H23N3O2 — CID 115395987

IUPAC[5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1CCC1CCCC1
InChIInChI=1S/C13H23N3O2/c1-18-9-8-16-12(14-15-13(16)10-17)7-6-11-4-2-3-5-11/h11,17H,2-10H2,1H3
InChIKeyUVCMBKAIHBCGGQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.54
Rot. Bonds7

About [5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol

[5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115395987) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is [5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID115395987
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name[5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1CCC1CCCC1
InChIInChI=1S/C13H23N3O2/c1-18-9-8-16-12(14-15-13(16)10-17)7-6-11-4-2-3-5-11/h11,17H,2-10H2,1H3
InChIKeyUVCMBKAIHBCGGQ-UHFFFAOYSA-N
XLogP1.54
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-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 [5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (CID 115395987) is [5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1CCC1CCCC1.
What is the InChIKey of [5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is UVCMBKAIHBCGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-18-9-8-16-12(14-15-13(16)10-17)7-6-11-4-2-3-5-11/h11,17H,2-10H2,1H3.
What are the key properties of [5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
[5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 253.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115395987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).