1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one

C18H24N2O6 — CID 19378757

IUPAC1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one
SMILESCOc1cc(Cc2nc(O)c(CC(C)C)n(O)c2=O)cc(OC)c1OC
InChIInChI=1S/C18H24N2O6/c1-10(2)6-13-17(21)19-12(18(22)20(13)23)7-11-8-14(24-3)16(26-5)15(9-11)25-4/h8-10,21,23H,6-7H2,1-5H3
InChIKeyWAEBUHQEJNKYID-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.00
Rot. Bonds7

About 1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one

1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one (PubChem CID 19378757) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one
PubChem CID19378757
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one
SMILESCOc1cc(Cc2nc(O)c(CC(C)C)n(O)c2=O)cc(OC)c1OC
InChIInChI=1S/C18H24N2O6/c1-10(2)6-13-17(21)19-12(18(22)20(13)23)7-11-8-14(24-3)16(26-5)15(9-11)25-4/h8-10,21,23H,6-7H2,1-5H3
InChIKeyWAEBUHQEJNKYID-UHFFFAOYSA-N
XLogP2.00
TPSA103.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one?
The IUPAC name of 1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one (CID 19378757) is 1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one.
What is the SMILES notation for 1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one?
The canonical SMILES for 1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one is COc1cc(Cc2nc(O)c(CC(C)C)n(O)c2=O)cc(OC)c1OC.
What is the InChIKey of 1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one?
The InChIKey is WAEBUHQEJNKYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-10(2)6-13-17(21)19-12(18(22)20(13)23)7-11-8-14(24-3)16(26-5)15(9-11)25-4/h8-10,21,23H,6-7H2,1-5H3.
What are the key properties of 1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one?
1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one has a molecular weight of 364.40 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroxy-6-(2-methylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrazin-2-one is sourced from PubChem (CID 19378757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).