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

C14H13ClN6O2 — CID 25284282

IUPACN-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCn1nnc2c(=O)n(CC(=O)NCc3ccccc3Cl)cnc21
InChIInChI=1S/C14H13ClN6O2/c1-20-13-12(18-19-20)14(23)21(8-17-13)7-11(22)16-6-9-4-2-3-5-10(9)15/h2-5,8H,6-7H2,1H3,(H,16,22)
InChIKeyXAAUIJNYDPCKPA-UHFFFAOYSA-N
MW332.75 g/mol
LogP0.49
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 25284282) has the molecular formula C14H13ClN6O2 and a molecular weight of 332.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID25284282
Molecular FormulaC14H13ClN6O2
Molecular Weight332.75 g/mol
Exact Mass332.08
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCn1nnc2c(=O)n(CC(=O)NCc3ccccc3Cl)cnc21
InChIInChI=1S/C14H13ClN6O2/c1-20-13-12(18-19-20)14(23)21(8-17-13)7-11(22)16-6-9-4-2-3-5-10(9)15/h2-5,8H,6-7H2,1H3,(H,16,22)
InChIKeyXAAUIJNYDPCKPA-UHFFFAOYSA-N
XLogP0.49
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-chlorophenyl)methyl]-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-benzyl-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 25284279
2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25284271
N-[(2-chlorophenyl)methyl]-2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7422934
N-(4-acetamidophenyl)-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 25284277
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 42010194
N-[(2-chlorophenyl)methyl]-2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16799484
N-[(2-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 26022125
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 37397903
2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42109652
2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 3365441
N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841749
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17479938

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide (CID 25284282) is N-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide is Cn1nnc2c(=O)n(CC(=O)NCc3ccccc3Cl)cnc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is XAAUIJNYDPCKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O2/c1-20-13-12(18-19-20)14(23)21(8-17-13)7-11(22)16-6-9-4-2-3-5-10(9)15/h2-5,8H,6-7H2,1H3,(H,16,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 332.75 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 25284282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).