1-(1,2,4-triazol-4-yl)butan-2-ol

C6H11N3O — CID 12888389

IUPAC1-(1,2,4-triazol-4-yl)butan-2-ol
SMILESCCC(O)Cn1cnnc1
InChIInChI=1S/C6H11N3O/c1-2-6(10)3-9-4-7-8-5-9/h4-6,10H,2-3H2,1H3
InChIKeyFWHFTQXMTWUZJR-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.05
Rot. Bonds3

About 1-(1,2,4-triazol-4-yl)butan-2-ol

1-(1,2,4-triazol-4-yl)butan-2-ol (PubChem CID 12888389) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(1,2,4-triazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name1-(1,2,4-triazol-4-yl)butan-2-ol
PubChem CID12888389
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-(1,2,4-triazol-4-yl)butan-2-ol
SMILESCCC(O)Cn1cnnc1
InChIInChI=1S/C6H11N3O/c1-2-6(10)3-9-4-7-8-5-9/h4-6,10H,2-3H2,1H3
InChIKeyFWHFTQXMTWUZJR-UHFFFAOYSA-N
XLogP0.05
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,2,4-triazol-4-yl)butan-2-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 1-(1,2,4-triazol-4-yl)butan-2-ol?
The IUPAC name of 1-(1,2,4-triazol-4-yl)butan-2-ol (CID 12888389) is 1-(1,2,4-triazol-4-yl)butan-2-ol.
What is the SMILES notation for 1-(1,2,4-triazol-4-yl)butan-2-ol?
The canonical SMILES for 1-(1,2,4-triazol-4-yl)butan-2-ol is CCC(O)Cn1cnnc1.
What is the InChIKey of 1-(1,2,4-triazol-4-yl)butan-2-ol?
The InChIKey is FWHFTQXMTWUZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-6(10)3-9-4-7-8-5-9/h4-6,10H,2-3H2,1H3.
What are the key properties of 1-(1,2,4-triazol-4-yl)butan-2-ol?
1-(1,2,4-triazol-4-yl)butan-2-ol has a molecular weight of 141.17 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-triazol-4-yl)butan-2-ol is sourced from PubChem (CID 12888389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).