6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H10F2N4 — CID 82556540

IUPAC6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(-c2ccc(F)c(F)c2)cn2nc(N)nc12
InChIInChI=1S/C13H10F2N4/c1-7-4-9(6-19-12(7)17-13(16)18-19)8-2-3-10(14)11(15)5-8/h2-6H,1H3,(H2,16,18)
InChIKeyOMSANRAHPTYJNT-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.57
Rot. Bonds1

About 6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82556540) has the molecular formula C13H10F2N4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82556540
Molecular FormulaC13H10F2N4
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(-c2ccc(F)c(F)c2)cn2nc(N)nc12
InChIInChI=1S/C13H10F2N4/c1-7-4-9(6-19-12(7)17-13(16)18-19)8-2-3-10(14)11(15)5-8/h2-6H,1H3,(H2,16,18)
InChIKeyOMSANRAHPTYJNT-UHFFFAOYSA-N
XLogP2.57
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82556540) is 6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(-c2ccc(F)c(F)c2)cn2nc(N)nc12.
What is the InChIKey of 6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is OMSANRAHPTYJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4/c1-7-4-9(6-19-12(7)17-13(16)18-19)8-2-3-10(14)11(15)5-8/h2-6H,1H3,(H2,16,18).
What are the key properties of 6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 260.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82556540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).