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

C15H17N5O3 — CID 136875248

IUPACN-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCOc1ccccc1NC(=O)C[C@H]1Cn2nc(C)nc2NC1=O
InChIInChI=1S/C15H17N5O3/c1-9-16-15-18-14(22)10(8-20(15)19-9)7-13(21)17-11-5-3-4-6-12(11)23-2/h3-6,10H,7-8H2,1-2H3,(H,17,21)(H,16,18,19,22)/t10-/m0/s1
InChIKeyMWXIDWJRBLOEET-JTQLQIEISA-N
MW315.33 g/mol
LogP1.19
Rot. Bonds4

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

N-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide (PubChem CID 136875248) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
PubChem CID136875248
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCOc1ccccc1NC(=O)C[C@H]1Cn2nc(C)nc2NC1=O
InChIInChI=1S/C15H17N5O3/c1-9-16-15-18-14(22)10(8-20(15)19-9)7-13(21)17-11-5-3-4-6-12(11)23-2/h3-6,10H,7-8H2,1-2H3,(H,17,21)(H,16,18,19,22)/t10-/m0/s1
InChIKeyMWXIDWJRBLOEET-JTQLQIEISA-N
XLogP1.19
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(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
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
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
2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide
CID 135886840
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
N-(2-methoxyphenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135904030
2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 47150286
methyl 2-[(6R)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
CID 135894929
N-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 135885441
N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220287
2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 136742030

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The IUPAC name of 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) is N-(2-methoxyphenyl)-2-[(6S)-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-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is COc1ccccc1NC(=O)C[C@H]1Cn2nc(C)nc2NC1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The InChIKey is MWXIDWJRBLOEET-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N5O3/c1-9-16-15-18-14(22)10(8-20(15)19-9)7-13(21)17-11-5-3-4-6-12(11)23-2/h3-6,10H,7-8H2,1-2H3,(H,17,21)(H,16,18,19,22)/t10-/m0/s1.
What are the key properties of N-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
N-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide has a molecular weight of 315.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 136875248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).