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

C7H10F2N4 — CID 79547583

IUPAC5-cyclopropyl-1-(2,2-difluoroethyl)triazol-4-amine
SMILESNc1nnn(CC(F)F)c1C1CC1
InChIInChI=1S/C7H10F2N4/c8-5(9)3-13-6(4-1-2-4)7(10)11-12-13/h4-5H,1-3,10H2
InChIKeyCYYHZLSVKPUPTJ-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.00
Rot. Bonds3

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

5-cyclopropyl-1-(2,2-difluoroethyl)triazol-4-amine (PubChem CID 79547583) has the molecular formula C7H10F2N4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2,2-difluoroethyl)triazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-(2,2-difluoroethyl)triazol-4-amine
PubChem CID79547583
Molecular FormulaC7H10F2N4
Molecular Weight188.18 g/mol
Exact Mass188.09
IUPAC Name5-cyclopropyl-1-(2,2-difluoroethyl)triazol-4-amine
SMILESNc1nnn(CC(F)F)c1C1CC1
InChIInChI=1S/C7H10F2N4/c8-5(9)3-13-6(4-1-2-4)7(10)11-12-13/h4-5H,1-3,10H2
InChIKeyCYYHZLSVKPUPTJ-UHFFFAOYSA-N
XLogP1.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.00
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-difluoroethyl)triazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-(2,2-difluoroethyl)triazol-4-amine (CID 79547583) is 5-cyclopropyl-1-(2,2-difluoroethyl)triazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-(2,2-difluoroethyl)triazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-(2,2-difluoroethyl)triazol-4-amine is Nc1nnn(CC(F)F)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2,2-difluoroethyl)triazol-4-amine?
The InChIKey is CYYHZLSVKPUPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4/c8-5(9)3-13-6(4-1-2-4)7(10)11-12-13/h4-5H,1-3,10H2.
What are the key properties of 5-cyclopropyl-1-(2,2-difluoroethyl)triazol-4-amine?
5-cyclopropyl-1-(2,2-difluoroethyl)triazol-4-amine has a molecular weight of 188.18 g/mol, XLogP of 1.00, 3 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-difluoroethyl)triazol-4-amine is sourced from PubChem (CID 79547583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).