N-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C17H16ClN5O2 — CID 6501318

IUPACN-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2nc3nc(C)c(Cl)c(C)n3n2)cc1
InChIInChI=1S/C17H16ClN5O2/c1-9-16(18)10(2)23-17(19-9)21-14(22-23)8-15(25)20-13-6-4-12(5-7-13)11(3)24/h4-7H,8H2,1-3H3,(H,20,25)
InChIKeyKWRPVSHNWXXOBG-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.78
Rot. Bonds4

About N-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

N-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 6501318) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID6501318
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC NameN-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2nc3nc(C)c(Cl)c(C)n3n2)cc1
InChIInChI=1S/C17H16ClN5O2/c1-9-16(18)10(2)23-17(19-9)21-14(22-23)8-15(25)20-13-6-4-12(5-7-13)11(3)24/h4-7H,8H2,1-3H3,(H,20,25)
InChIKeyKWRPVSHNWXXOBG-UHFFFAOYSA-N
XLogP2.78
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-2-(2-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 50749971
2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluorophenyl)acetamide
CID 50750342
N-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 50750372
N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 19559886
2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 935590
N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 38766637
N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 110677461
N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 19476903
N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890172
N-(4-acetylphenyl)-2-(2-methylphenyl)acetamide
CID 24696355
N-(4-acetylphenyl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 112999628
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 6501318) is N-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CC(=O)c1ccc(NC(=O)Cc2nc3nc(C)c(Cl)c(C)n3n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is KWRPVSHNWXXOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-9-16(18)10(2)23-17(19-9)21-14(22-23)8-15(25)20-13-6-4-12(5-7-13)11(3)24/h4-7H,8H2,1-3H3,(H,20,25).
What are the key properties of N-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 357.80 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 6501318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).