1-(3-fluoropropyl)-1,2,4-triazol-3-amine

C5H9FN4 — CID 81106089

IUPAC1-(3-fluoropropyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(CCCF)n1
InChIInChI=1S/C5H9FN4/c6-2-1-3-10-4-8-5(7)9-10/h4H,1-3H2,(H2,7,9)
InChIKeyCACAVWGQYDHALU-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.22
Rot. Bonds3

About 1-(3-fluoropropyl)-1,2,4-triazol-3-amine

1-(3-fluoropropyl)-1,2,4-triazol-3-amine (PubChem CID 81106089) has the molecular formula C5H9FN4 and a molecular weight of 144.15 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-1,2,4-triazol-3-amine
PubChem CID81106089
Molecular FormulaC5H9FN4
Molecular Weight144.15 g/mol
Exact Mass144.08
IUPAC Name1-(3-fluoropropyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(CCCF)n1
InChIInChI=1S/C5H9FN4/c6-2-1-3-10-4-8-5(7)9-10/h4H,1-3H2,(H2,7,9)
InChIKeyCACAVWGQYDHALU-UHFFFAOYSA-N
XLogP0.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(3-fluoropropyl)-1,2,4-triazol-3-amine (CID 81106089) is 1-(3-fluoropropyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(3-fluoropropyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(3-fluoropropyl)-1,2,4-triazol-3-amine is Nc1ncn(CCCF)n1.
What is the InChIKey of 1-(3-fluoropropyl)-1,2,4-triazol-3-amine?
The InChIKey is CACAVWGQYDHALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN4/c6-2-1-3-10-4-8-5(7)9-10/h4H,1-3H2,(H2,7,9).
What are the key properties of 1-(3-fluoropropyl)-1,2,4-triazol-3-amine?
1-(3-fluoropropyl)-1,2,4-triazol-3-amine has a molecular weight of 144.15 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 81106089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).