1-(1H-1,2,4-triazol-5-yl)ethanol

C4H7N3O — CID 21187528

IUPAC1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESCC(O)c1ncn[nH]1
InChIInChI=1S/C4H7N3O/c1-3(8)4-5-2-6-7-4/h2-3,8H,1H3,(H,5,6,7)
InChIKeyWYZRLXYOIMXEBO-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.14
Rot. Bonds1

About 1-(1H-1,2,4-triazol-5-yl)ethanol

1-(1H-1,2,4-triazol-5-yl)ethanol (PubChem CID 21187528) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)ethanol
PubChem CID21187528
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESCC(O)c1ncn[nH]1
InChIInChI=1S/C4H7N3O/c1-3(8)4-5-2-6-7-4/h2-3,8H,1H3,(H,5,6,7)
InChIKeyWYZRLXYOIMXEBO-UHFFFAOYSA-N
XLogP-0.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1H-1,2,4-triazol-5-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 1-(1H-1,2,4-triazol-5-yl)ethanol?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)ethanol (CID 21187528) is 1-(1H-1,2,4-triazol-5-yl)ethanol.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)ethanol?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)ethanol is CC(O)c1ncn[nH]1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)ethanol?
The InChIKey is WYZRLXYOIMXEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-3(8)4-5-2-6-7-4/h2-3,8H,1H3,(H,5,6,7).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)ethanol?
1-(1H-1,2,4-triazol-5-yl)ethanol has a molecular weight of 113.12 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)ethanol is sourced from PubChem (CID 21187528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).