N-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

C17H21N5O3 — CID 136857083

IUPACN-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCCc1ccc(NC(=O)C[C@@H]2Cn3nc(COC)nc3NC2=O)cc1
InChIInChI=1S/C17H21N5O3/c1-3-11-4-6-13(7-5-11)18-15(23)8-12-9-22-17(20-16(12)24)19-14(21-22)10-25-2/h4-7,12H,3,8-10H2,1-2H3,(H,18,23)(H,19,20,21,24)/t12-/m1/s1
InChIKeyNSFPWNJQFKTMQF-GFCCVEGCSA-N
MW343.39 g/mol
LogP1.58
Rot. Bonds6

About N-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

N-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide (PubChem CID 136857083) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
PubChem CID136857083
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCCc1ccc(NC(=O)C[C@@H]2Cn3nc(COC)nc3NC2=O)cc1
InChIInChI=1S/C17H21N5O3/c1-3-11-4-6-13(7-5-11)18-15(23)8-12-9-22-17(20-16(12)24)19-14(21-22)10-25-2/h4-7,12H,3,8-10H2,1-2H3,(H,18,23)(H,19,20,21,24)/t12-/m1/s1
InChIKeyNSFPWNJQFKTMQF-GFCCVEGCSA-N
XLogP1.58
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
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-[(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-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 135994279
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-[2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-(4-ethylphenyl)acetamide
CID 162787194
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
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
methyl 2-[(6R)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
CID 135894929
2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide
CID 135638166

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The IUPAC name of 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) is N-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is CCc1ccc(NC(=O)C[C@@H]2Cn3nc(COC)nc3NC2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The InChIKey is NSFPWNJQFKTMQF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-3-11-4-6-13(7-5-11)18-15(23)8-12-9-22-17(20-16(12)24)19-14(21-22)10-25-2/h4-7,12H,3,8-10H2,1-2H3,(H,18,23)(H,19,20,21,24)/t12-/m1/s1.
What are the key properties of N-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
N-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 136857083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).