6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C9H9F3N4O — CID 129216749

IUPAC6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(OCC(F)(F)F)c2nc(N)nn2c1
InChIInChI=1S/C9H9F3N4O/c1-5-2-6(17-4-9(10,11)12)7-14-8(13)15-16(7)3-5/h2-3H,4H2,1H3,(H2,13,15)
InChIKeyLASUHPKLRHJZAK-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.56
Rot. Bonds2

About 6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 129216749) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID129216749
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(OCC(F)(F)F)c2nc(N)nn2c1
InChIInChI=1S/C9H9F3N4O/c1-5-2-6(17-4-9(10,11)12)7-14-8(13)15-16(7)3-5/h2-3H,4H2,1H3,(H2,13,15)
InChIKeyLASUHPKLRHJZAK-UHFFFAOYSA-N
XLogP1.56
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 129216749) is 6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(OCC(F)(F)F)c2nc(N)nn2c1.
What is the InChIKey of 6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is LASUHPKLRHJZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O/c1-5-2-6(17-4-9(10,11)12)7-14-8(13)15-16(7)3-5/h2-3H,4H2,1H3,(H2,13,15).
What are the key properties of 6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 246.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 129216749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).