N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide

C17H18N8O2 — CID 90557525

IUPACN-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CN(c3ncnc4c3nnn4C)C2)c1
InChIInChI=1S/C17H18N8O2/c1-10(26)20-12-4-3-5-13(6-12)21-17(27)11-7-25(8-11)16-14-15(18-9-19-16)24(2)23-22-14/h3-6,9,11H,7-8H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyXKNHZYBKYGTBEK-UHFFFAOYSA-N
MW366.39 g/mol
LogP0.79
Rot. Bonds4

About N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide

N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide (PubChem CID 90557525) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
PubChem CID90557525
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC NameN-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CN(c3ncnc4c3nnn4C)C2)c1
InChIInChI=1S/C17H18N8O2/c1-10(26)20-12-4-3-5-13(6-12)21-17(27)11-7-25(8-11)16-14-15(18-9-19-16)24(2)23-22-14/h3-6,9,11H,7-8H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyXKNHZYBKYGTBEK-UHFFFAOYSA-N
XLogP0.79
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide 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-(3-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557519
1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90557517
N-(3-acetamidophenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557737
N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557548
N-(4-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557520
N-(5-chloro-2-methylphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557560
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557606
N-(cyclohexylmethyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557585
N-[2-(4-methoxyphenyl)ethyl]-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557494
[4-(2-chlorophenyl)piperazin-1-yl]-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557457
N-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 71798164
(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide (CID 90557525) is N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CN(c3ncnc4c3nnn4C)C2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The InChIKey is XKNHZYBKYGTBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c1-10(26)20-12-4-3-5-13(6-12)21-17(27)11-7-25(8-11)16-14-15(18-9-19-16)24(2)23-22-14/h3-6,9,11H,7-8H2,1-2H3,(H,20,26)(H,21,27).
What are the key properties of N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90557525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).