3-methyl-3-(2H-triazol-4-yl)pentan-1-ol

C8H15N3O — CID 118033645

IUPAC3-methyl-3-(2H-triazol-4-yl)pentan-1-ol
SMILESCCC(C)(CCO)c1cn[nH]n1
InChIInChI=1S/C8H15N3O/c1-3-8(2,4-5-12)7-6-9-11-10-7/h6,12H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyFNISIQYWRICFKQ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.85
Rot. Bonds4

About 3-methyl-3-(2H-triazol-4-yl)pentan-1-ol

3-methyl-3-(2H-triazol-4-yl)pentan-1-ol (PubChem CID 118033645) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-methyl-3-(2H-triazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(2H-triazol-4-yl)pentan-1-ol
PubChem CID118033645
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-methyl-3-(2H-triazol-4-yl)pentan-1-ol
SMILESCCC(C)(CCO)c1cn[nH]n1
InChIInChI=1S/C8H15N3O/c1-3-8(2,4-5-12)7-6-9-11-10-7/h6,12H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyFNISIQYWRICFKQ-UHFFFAOYSA-N
XLogP0.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-3-(2H-triazol-4-yl)pentan-1-ol 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 3-methyl-3-(2H-triazol-4-yl)pentan-1-ol?
The IUPAC name of 3-methyl-3-(2H-triazol-4-yl)pentan-1-ol (CID 118033645) is 3-methyl-3-(2H-triazol-4-yl)pentan-1-ol.
What is the SMILES notation for 3-methyl-3-(2H-triazol-4-yl)pentan-1-ol?
The canonical SMILES for 3-methyl-3-(2H-triazol-4-yl)pentan-1-ol is CCC(C)(CCO)c1cn[nH]n1.
What is the InChIKey of 3-methyl-3-(2H-triazol-4-yl)pentan-1-ol?
The InChIKey is FNISIQYWRICFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-8(2,4-5-12)7-6-9-11-10-7/h6,12H,3-5H2,1-2H3,(H,9,10,11).
What are the key properties of 3-methyl-3-(2H-triazol-4-yl)pentan-1-ol?
3-methyl-3-(2H-triazol-4-yl)pentan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2H-triazol-4-yl)pentan-1-ol is sourced from PubChem (CID 118033645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).