1-(3-fluoropropyl)-1,2,4-triazole

C5H8FN3 — CID 22165690

IUPAC1-(3-fluoropropyl)-1,2,4-triazole
SMILESFCCCn1cncn1
InChIInChI=1S/C5H8FN3/c6-2-1-3-9-5-7-4-8-9/h4-5H,1-3H2
InChIKeyRLGMJQTVMLTQJT-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.64
Rot. Bonds3

About 1-(3-fluoropropyl)-1,2,4-triazole

1-(3-fluoropropyl)-1,2,4-triazole (PubChem CID 22165690) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-1,2,4-triazole
PubChem CID22165690
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name1-(3-fluoropropyl)-1,2,4-triazole
SMILESFCCCn1cncn1
InChIInChI=1S/C5H8FN3/c6-2-1-3-9-5-7-4-8-9/h4-5H,1-3H2
InChIKeyRLGMJQTVMLTQJT-UHFFFAOYSA-N
XLogP0.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-1,2,4-triazole?
The IUPAC name of 1-(3-fluoropropyl)-1,2,4-triazole (CID 22165690) is 1-(3-fluoropropyl)-1,2,4-triazole.
What is the SMILES notation for 1-(3-fluoropropyl)-1,2,4-triazole?
The canonical SMILES for 1-(3-fluoropropyl)-1,2,4-triazole is FCCCn1cncn1.
What is the InChIKey of 1-(3-fluoropropyl)-1,2,4-triazole?
The InChIKey is RLGMJQTVMLTQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c6-2-1-3-9-5-7-4-8-9/h4-5H,1-3H2.
What are the key properties of 1-(3-fluoropropyl)-1,2,4-triazole?
1-(3-fluoropropyl)-1,2,4-triazole has a molecular weight of 129.14 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-1,2,4-triazole is sourced from PubChem (CID 22165690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).