N-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

C16H19N5O4 — CID 135994155

IUPACN-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCOc1cc(NC(=O)CC2Cn3nc(C)nc3NC2=O)cc(OC)c1
InChIInChI=1S/C16H19N5O4/c1-9-17-16-19-15(23)10(8-21(16)20-9)4-14(22)18-11-5-12(24-2)7-13(6-11)25-3/h5-7,10H,4,8H2,1-3H3,(H,18,22)(H,17,19,20,23)
InChIKeyOZNGVVJSKVNDQQ-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.20
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

N-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 135994155) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID135994155
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCOc1cc(NC(=O)CC2Cn3nc(C)nc3NC2=O)cc(OC)c1
InChIInChI=1S/C16H19N5O4/c1-9-17-16-19-15(23)10(8-21(16)20-9)4-14(22)18-11-5-12(24-2)7-13(6-11)25-3/h5-7,10H,4,8H2,1-3H3,(H,18,22)(H,17,19,20,23)
InChIKeyOZNGVVJSKVNDQQ-UHFFFAOYSA-N
XLogP1.20
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875244
2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 136875313
N-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875248
2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 136875274
2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 136875272
2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide
CID 136875242
N-(2-ethoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875253
N-(2-methyl-5-nitrophenyl)-2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875334
N-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136857083
N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 135994279
N-(3,5-dichlorophenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635965
methyl 2-[(6R)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
CID 135894929

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 135994155) is N-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is COc1cc(NC(=O)CC2Cn3nc(C)nc3NC2=O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is OZNGVVJSKVNDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-9-17-16-19-15(23)10(8-21(16)20-9)4-14(22)18-11-5-12(24-2)7-13(6-11)25-3/h5-7,10H,4,8H2,1-3H3,(H,18,22)(H,17,19,20,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 345.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 135994155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).