N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide

C17H19N5O3 — CID 110493267

IUPACN-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCc1nnc2nc(C)cc(C)n12
InChIInChI=1S/C17H19N5O3/c1-11-8-12(2)22-15(20-21-17(22)19-11)9-18-16(23)10-25-14-7-5-4-6-13(14)24-3/h4-8H,9-10H2,1-3H3,(H,18,23)
InChIKeyWGWOHPNQHPBHGK-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.44
Rot. Bonds6

About N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide

N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 110493267) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID110493267
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCc1nnc2nc(C)cc(C)n12
InChIInChI=1S/C17H19N5O3/c1-11-8-12(2)22-15(20-21-17(22)19-11)9-18-16(23)10-25-14-7-5-4-6-13(14)24-3/h4-8H,9-10H2,1-3H3,(H,18,23)
InChIKeyWGWOHPNQHPBHGK-UHFFFAOYSA-N
XLogP1.44
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)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-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 110493271
(E)-N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 110493292
2-(2-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 87041322
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7558831
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone
CID 675703
2-(2-methoxyphenoxy)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 110728083
N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110504201
2-(2-methoxyphenoxy)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110443308
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866534
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 122264672
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 90570891

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide (CID 110493267) is N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCc1nnc2nc(C)cc(C)n12.
What is the InChIKey of N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is WGWOHPNQHPBHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11-8-12(2)22-15(20-21-17(22)19-11)9-18-16(23)10-25-14-7-5-4-6-13(14)24-3/h4-8H,9-10H2,1-3H3,(H,18,23).
What are the key properties of N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide?
N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 110493267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).