3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine

C10H10F4N6 — CID 169172657

IUPAC3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine
SMILESNc1cn(C2(c3nncn3CC(F)(F)F)CC2)nc1F
InChIInChI=1S/C10H10F4N6/c11-7-6(15)3-20(18-7)9(1-2-9)8-17-16-5-19(8)4-10(12,13)14/h3,5H,1-2,4,15H2
InChIKeyFIZDQPOWHRGVKD-UHFFFAOYSA-N
MW290.22 g/mol
LogP1.30
Rot. Bonds3

About 3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine

3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine (PubChem CID 169172657) has the molecular formula C10H10F4N6 and a molecular weight of 290.22 g/mol. Its IUPAC name is 3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine
PubChem CID169172657
Molecular FormulaC10H10F4N6
Molecular Weight290.22 g/mol
Exact Mass290.09
IUPAC Name3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine
SMILESNc1cn(C2(c3nncn3CC(F)(F)F)CC2)nc1F
InChIInChI=1S/C10H10F4N6/c11-7-6(15)3-20(18-7)9(1-2-9)8-17-16-5-19(8)4-10(12,13)14/h3,5H,1-2,4,15H2
InChIKeyFIZDQPOWHRGVKD-UHFFFAOYSA-N
XLogP1.30
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine?
The IUPAC name of 3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine (CID 169172657) is 3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine.
What is the SMILES notation for 3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine?
The canonical SMILES for 3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine is Nc1cn(C2(c3nncn3CC(F)(F)F)CC2)nc1F.
What is the InChIKey of 3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine?
The InChIKey is FIZDQPOWHRGVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N6/c11-7-6(15)3-20(18-7)9(1-2-9)8-17-16-5-19(8)4-10(12,13)14/h3,5H,1-2,4,15H2.
What are the key properties of 3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine?
3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine has a molecular weight of 290.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine is sourced from PubChem (CID 169172657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).