2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine

C5H9FN4 — CID 84648940

IUPAC2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESNCC(F)Cn1cncn1
InChIInChI=1S/C5H9FN4/c6-5(1-7)2-10-4-8-3-9-10/h3-5H,1-2,7H2
InChIKeyYPWNLJVVGRYTLB-UHFFFAOYSA-N
MW144.15 g/mol
LogP-0.43
Rot. Bonds3

About 2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine

2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 84648940) has the molecular formula C5H9FN4 and a molecular weight of 144.15 g/mol. Its IUPAC name is 2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID84648940
Molecular FormulaC5H9FN4
Molecular Weight144.15 g/mol
Exact Mass144.08
IUPAC Name2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESNCC(F)Cn1cncn1
InChIInChI=1S/C5H9FN4/c6-5(1-7)2-10-4-8-3-9-10/h3-5H,1-2,7H2
InChIKeyYPWNLJVVGRYTLB-UHFFFAOYSA-N
XLogP-0.43
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 ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of 2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine (CID 84648940) is 2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine is NCC(F)Cn1cncn1.
What is the InChIKey of 2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is YPWNLJVVGRYTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN4/c6-5(1-7)2-10-4-8-3-9-10/h3-5H,1-2,7H2.
What are the key properties of 2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine?
2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 144.15 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 84648940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).