5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine

C8H11F3N4 — CID 79548195

IUPAC5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
SMILESNc1nnn(CCC(F)(F)F)c1C1CC1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)3-4-15-6(5-1-2-5)7(12)13-14-15/h5H,1-4,12H2
InChIKeyXBKPKTUZPZNUQB-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.69
Rot. Bonds3

About 5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine

5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine (PubChem CID 79548195) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
PubChem CID79548195
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
SMILESNc1nnn(CCC(F)(F)F)c1C1CC1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)3-4-15-6(5-1-2-5)7(12)13-14-15/h5H,1-4,12H2
InChIKeyXBKPKTUZPZNUQB-UHFFFAOYSA-N
XLogP1.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine (CID 79548195) is 5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine is Nc1nnn(CCC(F)(F)F)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine?
The InChIKey is XBKPKTUZPZNUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c9-8(10,11)3-4-15-6(5-1-2-5)7(12)13-14-15/h5H,1-4,12H2.
What are the key properties of 5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine?
5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine has a molecular weight of 220.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3,3,3-trifluoropropyl)triazol-4-amine is sourced from PubChem (CID 79548195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).