N-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C9H10F2N4 — CID 79098723

IUPACN-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCC(F)F)n2ncnc2c1
InChIInChI=1S/C9H10F2N4/c1-6-2-8(12-4-7(10)11)15-9(3-6)13-5-14-15/h2-3,5,7,12H,4H2,1H3
InChIKeyJFCOBAOQCIUUSL-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.71
Rot. Bonds3

About N-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

N-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 79098723) has the molecular formula C9H10F2N4 and a molecular weight of 212.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID79098723
Molecular FormulaC9H10F2N4
Molecular Weight212.20 g/mol
Exact Mass212.09
IUPAC NameN-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCC(F)F)n2ncnc2c1
InChIInChI=1S/C9H10F2N4/c1-6-2-8(12-4-7(10)11)15-9(3-6)13-5-14-15/h2-3,5,7,12H,4H2,1H3
InChIKeyJFCOBAOQCIUUSL-UHFFFAOYSA-N
XLogP1.71
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 79098723) is N-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1cc(NCC(F)F)n2ncnc2c1.
What is the InChIKey of N-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is JFCOBAOQCIUUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4/c1-6-2-8(12-4-7(10)11)15-9(3-6)13-5-14-15/h2-3,5,7,12H,4H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
N-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 212.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 79098723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).