5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine

C7H9F3N4 — CID 79548103

IUPAC5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine
SMILESNc1nnn(CC(F)(F)F)c1C1CC1
InChIInChI=1S/C7H9F3N4/c8-7(9,10)3-14-5(4-1-2-4)6(11)12-13-14/h4H,1-3,11H2
InChIKeyDESJKLCWARBATN-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.30
Rot. Bonds2

About 5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine

5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine (PubChem CID 79548103) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine
PubChem CID79548103
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC Name5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine
SMILESNc1nnn(CC(F)(F)F)c1C1CC1
InChIInChI=1S/C7H9F3N4/c8-7(9,10)3-14-5(4-1-2-4)6(11)12-13-14/h4H,1-3,11H2
InChIKeyDESJKLCWARBATN-UHFFFAOYSA-N
XLogP1.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine (CID 79548103) is 5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine is Nc1nnn(CC(F)(F)F)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine?
The InChIKey is DESJKLCWARBATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4/c8-7(9,10)3-14-5(4-1-2-4)6(11)12-13-14/h4H,1-3,11H2.
What are the key properties of 5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine?
5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine has a molecular weight of 206.17 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2,2,2-trifluoroethyl)triazol-4-amine is sourced from PubChem (CID 79548103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).