N-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C13H8F2N4O — CID 53013636

IUPACN-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc2nncn2c1
InChIInChI=1S/C13H8F2N4O/c14-9-2-3-11(10(15)5-9)17-13(20)8-1-4-12-18-16-7-19(12)6-8/h1-7H,(H,17,20)
InChIKeyKCWFLZHHORCOOD-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.26
Rot. Bonds2

About N-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 53013636) has the molecular formula C13H8F2N4O and a molecular weight of 274.23 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID53013636
Molecular FormulaC13H8F2N4O
Molecular Weight274.23 g/mol
Exact Mass274.07
IUPAC NameN-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc2nncn2c1
InChIInChI=1S/C13H8F2N4O/c14-9-2-3-11(10(15)5-9)17-13(20)8-1-4-12-18-16-7-19(12)6-8/h1-7H,(H,17,20)
InChIKeyKCWFLZHHORCOOD-UHFFFAOYSA-N
XLogP2.26
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 53013636) is N-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc2nncn2c1.
What is the InChIKey of N-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is KCWFLZHHORCOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O/c14-9-2-3-11(10(15)5-9)17-13(20)8-1-4-12-18-16-7-19(12)6-8/h1-7H,(H,17,20).
What are the key properties of N-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 274.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 53013636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).