1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine

C7H10F2N4 — CID 165472992

IUPAC1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine
SMILESNc1cn(CCC2CC2(F)F)nn1
InChIInChI=1S/C7H10F2N4/c8-7(9)3-5(7)1-2-13-4-6(10)11-12-13/h4-5H,1-3,10H2
InChIKeyMOYAOVBYKCVZRL-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.91
Rot. Bonds3

About 1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine

1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine (PubChem CID 165472992) has the molecular formula C7H10F2N4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine.

Molecular Properties

Compound Name1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine
PubChem CID165472992
Molecular FormulaC7H10F2N4
Molecular Weight188.18 g/mol
Exact Mass188.09
IUPAC Name1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine
SMILESNc1cn(CCC2CC2(F)F)nn1
InChIInChI=1S/C7H10F2N4/c8-7(9)3-5(7)1-2-13-4-6(10)11-12-13/h4-5H,1-3,10H2
InChIKeyMOYAOVBYKCVZRL-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine?
The IUPAC name of 1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine (CID 165472992) is 1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine.
What is the SMILES notation for 1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine?
The canonical SMILES for 1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine is Nc1cn(CCC2CC2(F)F)nn1.
What is the InChIKey of 1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine?
The InChIKey is MOYAOVBYKCVZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4/c8-7(9)3-5(7)1-2-13-4-6(10)11-12-13/h4-5H,1-3,10H2.
What are the key properties of 1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine?
1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine has a molecular weight of 188.18 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluorocyclopropyl)ethyl]triazol-4-amine is sourced from PubChem (CID 165472992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).