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

C5H8FN3O — CID 67571305

IUPAC3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESOC(CCF)c1ncn[nH]1
InChIInChI=1S/C5H8FN3O/c6-2-1-4(10)5-7-3-8-9-5/h3-4,10H,1-2H2,(H,7,8,9)
InChIKeyCWUXXKXDKYJJGW-UHFFFAOYSA-N
MW145.14 g/mol
LogP0.20
Rot. Bonds3

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

3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol (PubChem CID 67571305) has the molecular formula C5H8FN3O and a molecular weight of 145.14 g/mol. Its IUPAC name is 3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
PubChem CID67571305
Molecular FormulaC5H8FN3O
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESOC(CCF)c1ncn[nH]1
InChIInChI=1S/C5H8FN3O/c6-2-1-4(10)5-7-3-8-9-5/h3-4,10H,1-2H2,(H,7,8,9)
InChIKeyCWUXXKXDKYJJGW-UHFFFAOYSA-N
XLogP0.20
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-1-(1H-1,2,4-triazol-5-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 3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The IUPAC name of 3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol (CID 67571305) is 3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The canonical SMILES for 3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol is OC(CCF)c1ncn[nH]1.
What is the InChIKey of 3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The InChIKey is CWUXXKXDKYJJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O/c6-2-1-4(10)5-7-3-8-9-5/h3-4,10H,1-2H2,(H,7,8,9).
What are the key properties of 3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol has a molecular weight of 145.14 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol is sourced from PubChem (CID 67571305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).