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

C16H19N5O3 — CID 146068217

IUPAC2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCc2nnn3c2CNC(=O)C3C)c1
InChIInChI=1S/C16H19N5O3/c1-10-16(23)18-9-14-13(19-20-21(10)14)8-17-15(22)7-11-4-3-5-12(6-11)24-2/h3-6,10H,7-9H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyZCEGAGUSELYKMA-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.34
Rot. Bonds5

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

2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide (PubChem CID 146068217) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide
PubChem CID146068217
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCc2nnn3c2CNC(=O)C3C)c1
InChIInChI=1S/C16H19N5O3/c1-10-16(23)18-9-14-13(19-20-21(10)14)8-17-15(22)7-11-4-3-5-12(6-11)24-2/h3-6,10H,7-9H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyZCEGAGUSELYKMA-UHFFFAOYSA-N
XLogP0.34
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide
CID 146068377
N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846
2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
CID 112536479
2-[4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698658
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387533
2-(3-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825840
2-(3-methoxyphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 110785285
2-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345906
2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 110731154

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide (CID 146068217) is 2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide is COc1cccc(CC(=O)NCc2nnn3c2CNC(=O)C3C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide?
The InChIKey is ZCEGAGUSELYKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10-16(23)18-9-14-13(19-20-21(10)14)8-17-15(22)7-11-4-3-5-12(6-11)24-2/h3-6,10H,7-9H2,1-2H3,(H,17,22)(H,18,23).
What are the key properties of 2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide?
2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide has a molecular weight of 329.36 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide is sourced from PubChem (CID 146068217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).