(8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C13H13F2N3 — CID 143770147

IUPAC(8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2n(n1)CCC[C@@H]2c1cccc(F)c1F
InChIInChI=1S/C13H13F2N3/c1-8-16-13-10(5-3-7-18(13)17-8)9-4-2-6-11(14)12(9)15/h2,4,6,10H,3,5,7H2,1H3/t10-/m1/s1
InChIKeyNBWKJQLUMJKGHY-SNVBAGLBSA-N
MW249.26 g/mol
LogP2.79
Rot. Bonds1

About (8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

(8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 143770147) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is (8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name(8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID143770147
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name(8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2n(n1)CCC[C@@H]2c1cccc(F)c1F
InChIInChI=1S/C13H13F2N3/c1-8-16-13-10(5-3-7-18(13)17-8)9-4-2-6-11(14)12(9)15/h2,4,6,10H,3,5,7H2,1H3/t10-/m1/s1
InChIKeyNBWKJQLUMJKGHY-SNVBAGLBSA-N
XLogP2.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of (8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 143770147) is (8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for (8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for (8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is Cc1nc2n(n1)CCC[C@@H]2c1cccc(F)c1F.
What is the InChIKey of (8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NBWKJQLUMJKGHY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-8-16-13-10(5-3-7-18(13)17-8)9-4-2-6-11(14)12(9)15/h2,4,6,10H,3,5,7H2,1H3/t10-/m1/s1.
What are the key properties of (8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
(8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 249.26 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(2,3-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 143770147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).