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

C9H14F2N4 — CID 165480029

IUPAC1-[2-(2,2-difluorocyclopentyl)ethyl]triazol-4-amine
SMILESNc1cn(CCC2CCCC2(F)F)nn1
InChIInChI=1S/C9H14F2N4/c10-9(11)4-1-2-7(9)3-5-15-6-8(12)13-14-15/h6-7H,1-5,12H2
InChIKeyVIQYWTRFKYFAJF-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.69
Rot. Bonds3

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

1-[2-(2,2-difluorocyclopentyl)ethyl]triazol-4-amine (PubChem CID 165480029) has the molecular formula C9H14F2N4 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-[2-(2,2-difluorocyclopentyl)ethyl]triazol-4-amine.

Molecular Properties

Compound Name1-[2-(2,2-difluorocyclopentyl)ethyl]triazol-4-amine
PubChem CID165480029
Molecular FormulaC9H14F2N4
Molecular Weight216.23 g/mol
Exact Mass216.12
IUPAC Name1-[2-(2,2-difluorocyclopentyl)ethyl]triazol-4-amine
SMILESNc1cn(CCC2CCCC2(F)F)nn1
InChIInChI=1S/C9H14F2N4/c10-9(11)4-1-2-7(9)3-5-15-6-8(12)13-14-15/h6-7H,1-5,12H2
InChIKeyVIQYWTRFKYFAJF-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 ≤ 500216.23
LogP ≤ 51.69
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-difluorocyclopentyl)ethyl]triazol-4-amine?
The IUPAC name of 1-[2-(2,2-difluorocyclopentyl)ethyl]triazol-4-amine (CID 165480029) is 1-[2-(2,2-difluorocyclopentyl)ethyl]triazol-4-amine.
What is the SMILES notation for 1-[2-(2,2-difluorocyclopentyl)ethyl]triazol-4-amine?
The canonical SMILES for 1-[2-(2,2-difluorocyclopentyl)ethyl]triazol-4-amine is Nc1cn(CCC2CCCC2(F)F)nn1.
What is the InChIKey of 1-[2-(2,2-difluorocyclopentyl)ethyl]triazol-4-amine?
The InChIKey is VIQYWTRFKYFAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4/c10-9(11)4-1-2-7(9)3-5-15-6-8(12)13-14-15/h6-7H,1-5,12H2.
What are the key properties of 1-[2-(2,2-difluorocyclopentyl)ethyl]triazol-4-amine?
1-[2-(2,2-difluorocyclopentyl)ethyl]triazol-4-amine has a molecular weight of 216.23 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 1-[2-(2,2-difluorocyclopentyl)ethyl]triazol-4-amine is sourced from PubChem (CID 165480029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).