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

C3H3F3N4 — CID 53443368

IUPAC3-(trifluoromethyl)-1,2,4-triazol-4-amine
SMILESNn1cnnc1C(F)(F)F
InChIInChI=1S/C3H3F3N4/c4-3(5,6)2-9-8-1-10(2)7/h1H,7H2
InChIKeyOJPMXZPFBMVNJB-UHFFFAOYSA-N
MW152.08 g/mol
LogP0.01
Rot. Bonds

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

3-(trifluoromethyl)-1,2,4-triazol-4-amine (PubChem CID 53443368) has the molecular formula C3H3F3N4 and a molecular weight of 152.08 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,2,4-triazol-4-amine
PubChem CID53443368
Molecular FormulaC3H3F3N4
Molecular Weight152.08 g/mol
Exact Mass152.03
IUPAC Name3-(trifluoromethyl)-1,2,4-triazol-4-amine
SMILESNn1cnnc1C(F)(F)F
InChIInChI=1S/C3H3F3N4/c4-3(5,6)2-9-8-1-10(2)7/h1H,7H2
InChIKeyOJPMXZPFBMVNJB-UHFFFAOYSA-N
XLogP0.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.08
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(trifluoromethyl)-1,2,4-triazol-4-amine (CID 53443368) is 3-(trifluoromethyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(trifluoromethyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(trifluoromethyl)-1,2,4-triazol-4-amine is Nn1cnnc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-1,2,4-triazol-4-amine?
The InChIKey is OJPMXZPFBMVNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3N4/c4-3(5,6)2-9-8-1-10(2)7/h1H,7H2.
What are the key properties of 3-(trifluoromethyl)-1,2,4-triazol-4-amine?
3-(trifluoromethyl)-1,2,4-triazol-4-amine has a molecular weight of 152.08 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 53443368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).