1-(1-fluoropropyl)-1,2,4-triazole

C5H8FN3 — CID 91074116

IUPAC1-(1-fluoropropyl)-1,2,4-triazole
SMILESCCC(F)n1cncn1
InChIInChI=1S/C5H8FN3/c1-2-5(6)9-4-7-3-8-9/h3-5H,2H2,1H3
InChIKeyIEOPMVRAGPTYEK-UHFFFAOYSA-N
MW129.14 g/mol
LogP1.16
Rot. Bonds2

About 1-(1-fluoropropyl)-1,2,4-triazole

1-(1-fluoropropyl)-1,2,4-triazole (PubChem CID 91074116) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 1-(1-fluoropropyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(1-fluoropropyl)-1,2,4-triazole
PubChem CID91074116
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name1-(1-fluoropropyl)-1,2,4-triazole
SMILESCCC(F)n1cncn1
InChIInChI=1S/C5H8FN3/c1-2-5(6)9-4-7-3-8-9/h3-5H,2H2,1H3
InChIKeyIEOPMVRAGPTYEK-UHFFFAOYSA-N
XLogP1.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropropyl)-1,2,4-triazole?
The IUPAC name of 1-(1-fluoropropyl)-1,2,4-triazole (CID 91074116) is 1-(1-fluoropropyl)-1,2,4-triazole.
What is the SMILES notation for 1-(1-fluoropropyl)-1,2,4-triazole?
The canonical SMILES for 1-(1-fluoropropyl)-1,2,4-triazole is CCC(F)n1cncn1.
What is the InChIKey of 1-(1-fluoropropyl)-1,2,4-triazole?
The InChIKey is IEOPMVRAGPTYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-2-5(6)9-4-7-3-8-9/h3-5H,2H2,1H3.
What are the key properties of 1-(1-fluoropropyl)-1,2,4-triazole?
1-(1-fluoropropyl)-1,2,4-triazole has a molecular weight of 129.14 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropropyl)-1,2,4-triazole is sourced from PubChem (CID 91074116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).