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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Related Compounds

1H-1,2,4-Triazole-1-propanamine
CID 4379682
1H-1,2,4-Triazole-1-ethanamine
CID 3039957
1H-1,2,4-Triazol-3-amine, 1-propyl-
CID 143566
2-(1H-1,2,4-triazol-1-yl)ethan-1-amine hydrochloride
CID 50988733
1H-1,2,4-Triazol-3-amine, 1-ethyl-
CID 142619
1H-1,2,4-Triazol-5-amine, 1-propyl-
CID 143567
1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 6484104
1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
CID 19622865
1-(2,2-difluoroethyl)-1H-1,2,4-triazol-3-amine
CID 19622867
2-(1H-1,2,4-triazol-1-yl)ethan-1-amine dihydrochloride
CID 20248317
3-(1H-1,2,4-triazol-1-yl)propan-1-amine hydrochloride
CID 44119709
3-(1H-1,2,4-triazol-1-yl)propan-1-amine dihydrochloride
CID 53398793

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).