N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C12H7F2N5O — CID 1169223

IUPACN-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1nc2ncccn2n1
InChIInChI=1S/C12H7F2N5O/c13-7-2-3-9(8(14)6-7)16-11(20)10-17-12-15-4-1-5-19(12)18-10/h1-6H,(H,16,20)
InChIKeyXMCMZNNOAAAIJY-UHFFFAOYSA-N
MW275.22 g/mol
LogP1.65
Rot. Bonds2

About N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1169223) has the molecular formula C12H7F2N5O and a molecular weight of 275.22 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1169223
Molecular FormulaC12H7F2N5O
Molecular Weight275.22 g/mol
Exact Mass275.06
IUPAC NameN-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1nc2ncccn2n1
InChIInChI=1S/C12H7F2N5O/c13-7-2-3-9(8(14)6-7)16-11(20)10-17-12-15-4-1-5-19(12)18-10/h1-6H,(H,16,20)
InChIKeyXMCMZNNOAAAIJY-UHFFFAOYSA-N
XLogP1.65
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169206
N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824572
N-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824610
N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824683
N-(2,4-difluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300473
N-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824647
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169262
N-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 110863637
N-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821873
N-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 17424076
N-(5-fluoro-2-methylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 18130890
N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide
CID 110467265

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 1169223) is N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1nc2ncccn2n1.
What is the InChIKey of N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XMCMZNNOAAAIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N5O/c13-7-2-3-9(8(14)6-7)16-11(20)10-17-12-15-4-1-5-19(12)18-10/h1-6H,(H,16,20).
What are the key properties of N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 275.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1169223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).