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

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Related Compounds

[3-hydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]phosphonic acid
CID 10058842
(1H-1,2,4-triazol-3-yl)methanol
CID 424449
1-(4H-1,2,4-Triazol-3-yl)ethan-1-ol
CID 21187528
1-(4H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 126801829
1-(4H-1,2,4-Triazol-3-yl)propan-1-ol hydrochloride
CID 137964058
O-[(1S)-1-(1H-1,2,4-triazol-3-yl)ethyl]hydroxylamine dihydrochloride
CID 146075476
O-[(1R)-1-(1H-1,2,4-triazol-3-yl)ethyl]hydroxylamine dihydrochloride
CID 155819732
(1R)-1-(1H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 155822124
2-(4H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 155943735
2-(1H-1,2,4-triazol-3-yl)ethan-1-ol
CID 22140765
1-Fluoro-3-hydroxy-3(1,2,4-triazol-3-yl)propane phosphonic acid
CID 53978433
2-Fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol
CID 59330633

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).