8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one

C12H15N3O — CID 46230047

IUPAC8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one
SMILESCc1ccc2c(c1)C(=O)NC1CNCCN21
InChIInChI=1S/C12H15N3O/c1-8-2-3-10-9(6-8)12(16)14-11-7-13-4-5-15(10)11/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
InChIKeySSFYXMCWGRBLJK-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.47
Rot. Bonds

About 8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one

8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one (PubChem CID 46230047) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one.

Molecular Properties

Compound Name8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one
PubChem CID46230047
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one
SMILESCc1ccc2c(c1)C(=O)NC1CNCCN21
InChIInChI=1S/C12H15N3O/c1-8-2-3-10-9(6-8)12(16)14-11-7-13-4-5-15(10)11/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
InChIKeySSFYXMCWGRBLJK-UHFFFAOYSA-N
XLogP0.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one?
The IUPAC name of 8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one (CID 46230047) is 8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one.
What is the SMILES notation for 8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one?
The canonical SMILES for 8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one is Cc1ccc2c(c1)C(=O)NC1CNCCN21.
What is the InChIKey of 8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one?
The InChIKey is SSFYXMCWGRBLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-2-3-10-9(6-8)12(16)14-11-7-13-4-5-15(10)11/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16).
What are the key properties of 8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one?
8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one has a molecular weight of 217.27 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one is sourced from PubChem (CID 46230047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).