3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one

C18H17N3O3 — CID 132588517

IUPAC3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one
SMILESCOc1cccc(-c2nc(N)c(=O)[nH]c2-c2cccc(OC)c2)c1
InChIInChI=1S/C18H17N3O3/c1-23-13-7-3-5-11(9-13)15-16(21-18(22)17(19)20-15)12-6-4-8-14(10-12)24-2/h3-10H,1-2H3,(H2,19,20)(H,21,22)
InChIKeyZGHVAOAPBVIJCU-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.70
Rot. Bonds4

About 3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one

3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one (PubChem CID 132588517) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one
PubChem CID132588517
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one
SMILESCOc1cccc(-c2nc(N)c(=O)[nH]c2-c2cccc(OC)c2)c1
InChIInChI=1S/C18H17N3O3/c1-23-13-7-3-5-11(9-13)15-16(21-18(22)17(19)20-15)12-6-4-8-14(10-12)24-2/h3-10H,1-2H3,(H2,19,20)(H,21,22)
InChIKeyZGHVAOAPBVIJCU-UHFFFAOYSA-N
XLogP2.70
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955442
4,5-bis(3-methoxyphenyl)-2-(2-phenylphenyl)-1H-imidazole
CID 151753479
2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475428
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole
CID 6618129
5-(3-methoxyphenyl)-1H-imidazol-4-amine
CID 82468693
3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one
CID 125458438
6-(3-methoxyphenyl)-1,2,4-triazin-5-amine
CID 116823084
2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole
CID 141217433
4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole
CID 1110224
4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692138
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one?
The IUPAC name of 3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one (CID 132588517) is 3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one is COc1cccc(-c2nc(N)c(=O)[nH]c2-c2cccc(OC)c2)c1.
What is the InChIKey of 3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one?
The InChIKey is ZGHVAOAPBVIJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-13-7-3-5-11(9-13)15-16(21-18(22)17(19)20-15)12-6-4-8-14(10-12)24-2/h3-10H,1-2H3,(H2,19,20)(H,21,22).
What are the key properties of 3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one?
3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one has a molecular weight of 323.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 132588517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).