2-(3-methyltriazol-4-yl)ethanol

C5H9N3O — CID 114690055

IUPAC2-(3-methyltriazol-4-yl)ethanol
SMILESCn1nncc1CCO
InChIInChI=1S/C5H9N3O/c1-8-5(2-3-9)4-6-7-8/h4,9H,2-3H2,1H3
InChIKeyLFRCHXXTPDBTLI-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.65
Rot. Bonds2

About 2-(3-methyltriazol-4-yl)ethanol

2-(3-methyltriazol-4-yl)ethanol (PubChem CID 114690055) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-(3-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-methyltriazol-4-yl)ethanol
PubChem CID114690055
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-(3-methyltriazol-4-yl)ethanol
SMILESCn1nncc1CCO
InChIInChI=1S/C5H9N3O/c1-8-5(2-3-9)4-6-7-8/h4,9H,2-3H2,1H3
InChIKeyLFRCHXXTPDBTLI-UHFFFAOYSA-N
XLogP-0.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyltriazol-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 2-(3-methyltriazol-4-yl)ethanol?
The IUPAC name of 2-(3-methyltriazol-4-yl)ethanol (CID 114690055) is 2-(3-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-methyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(3-methyltriazol-4-yl)ethanol is Cn1nncc1CCO.
What is the InChIKey of 2-(3-methyltriazol-4-yl)ethanol?
The InChIKey is LFRCHXXTPDBTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8-5(2-3-9)4-6-7-8/h4,9H,2-3H2,1H3.
What are the key properties of 2-(3-methyltriazol-4-yl)ethanol?
2-(3-methyltriazol-4-yl)ethanol has a molecular weight of 127.15 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 114690055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).