1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol

C7H13N3O — CID 146264805

IUPAC1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol
SMILESCCc1nc(C(O)CC)n[nH]1
InChIInChI=1S/C7H13N3O/c1-3-5(11)7-8-6(4-2)9-10-7/h5,11H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyGEJXQUHKXLDJFP-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.81
Rot. Bonds3

About 1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol

1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 146264805) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID146264805
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol
SMILESCCc1nc(C(O)CC)n[nH]1
InChIInChI=1S/C7H13N3O/c1-3-5(11)7-8-6(4-2)9-10-7/h5,11H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyGEJXQUHKXLDJFP-UHFFFAOYSA-N
XLogP0.81
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-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 1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol (CID 146264805) is 1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol is CCc1nc(C(O)CC)n[nH]1.
What is the InChIKey of 1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is GEJXQUHKXLDJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-5(11)7-8-6(4-2)9-10-7/h5,11H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of 1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol?
1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 155.20 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1H-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 146264805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).