1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol

C6H10FN3O — CID 141134678

IUPAC1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol
SMILESCCC(O)Cn1ncnc1F
InChIInChI=1S/C6H10FN3O/c1-2-5(11)3-10-6(7)8-4-9-10/h4-5,11H,2-3H2,1H3
InChIKeyGGPFGRCSXKDDCQ-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.19
Rot. Bonds3

About 1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol

1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 141134678) has the molecular formula C6H10FN3O and a molecular weight of 159.16 g/mol. Its IUPAC name is 1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol
PubChem CID141134678
Molecular FormulaC6H10FN3O
Molecular Weight159.16 g/mol
Exact Mass159.08
IUPAC Name1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol
SMILESCCC(O)Cn1ncnc1F
InChIInChI=1S/C6H10FN3O/c1-2-5(11)3-10-6(7)8-4-9-10/h4-5,11H,2-3H2,1H3
InChIKeyGGPFGRCSXKDDCQ-UHFFFAOYSA-N
XLogP0.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol (CID 141134678) is 1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol is CCC(O)Cn1ncnc1F.
What is the InChIKey of 1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is GGPFGRCSXKDDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O/c1-2-5(11)3-10-6(7)8-4-9-10/h4-5,11H,2-3H2,1H3.
What are the key properties of 1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol?
1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 159.16 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 141134678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).