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

C14H11N5O2 — CID 44824683

IUPACN-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C14H11N5O2/c1-9(20)10-5-2-3-6-11(10)16-13(21)12-17-14-15-7-4-8-19(14)18-12/h2-8H,1H3,(H,16,21)
InChIKeyJNRDOABEWRCEKB-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.58
Rot. Bonds3

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

N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 44824683) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID44824683
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC NameN-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C14H11N5O2/c1-9(20)10-5-2-3-6-11(10)16-13(21)12-17-14-15-7-4-8-19(14)18-12/h2-8H,1H3,(H,16,21)
InChIKeyJNRDOABEWRCEKB-UHFFFAOYSA-N
XLogP1.58
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate
CID 821880
N-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821873
N-(2,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169206
N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169223
N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824572
N-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315714
N-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824647
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 19583672
N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315682
N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 93242371
N-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169203
N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315733

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 44824683) is N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CC(=O)c1ccccc1NC(=O)c1nc2ncccn2n1.
What is the InChIKey of N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JNRDOABEWRCEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c1-9(20)10-5-2-3-6-11(10)16-13(21)12-17-14-15-7-4-8-19(14)18-12/h2-8H,1H3,(H,16,21).
What are the key properties of N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 44824683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).