N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide

C15H15N7O3 — CID 25284277

IUPACN-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2cnc3c(nnn3C)c2=O)cc1
InChIInChI=1S/C15H15N7O3/c1-9(23)17-10-3-5-11(6-4-10)18-12(24)7-22-8-16-14-13(15(22)25)19-20-21(14)2/h3-6,8H,7H2,1-2H3,(H,17,23)(H,18,24)
InChIKeyWTQRZCPPYFNMKP-UHFFFAOYSA-N
MW341.33 g/mol
LogP0.12
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide

N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 25284277) has the molecular formula C15H15N7O3 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID25284277
Molecular FormulaC15H15N7O3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC NameN-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2cnc3c(nnn3C)c2=O)cc1
InChIInChI=1S/C15H15N7O3/c1-9(23)17-10-3-5-11(6-4-10)18-12(24)7-22-8-16-14-13(15(22)25)19-20-21(14)2/h3-6,8H,7H2,1-2H3,(H,17,23)(H,18,24)
InChIKeyWTQRZCPPYFNMKP-UHFFFAOYSA-N
XLogP0.12
TPSA123.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 44826502
2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25284271
N-benzyl-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 25284279
N-(4-methylphenyl)-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869366
N-(4-acetylphenyl)-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 7111137
2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43936078
2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide
CID 7159357
2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(4-methylphenyl)acetamide
CID 7111071
N-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 25284282
N-(4-ethylphenyl)-2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869418
2-[3-(4-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(4-ethylphenyl)acetamide
CID 7476018
2-[3-[(4-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 45030145

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide (CID 25284277) is N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(nnn3C)c2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is WTQRZCPPYFNMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O3/c1-9(23)17-10-3-5-11(6-4-10)18-12(24)7-22-8-16-14-13(15(22)25)19-20-21(14)2/h3-6,8H,7H2,1-2H3,(H,17,23)(H,18,24).
What are the key properties of N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide?
N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 341.33 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 25284277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).