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

C12H15N3O — CID 11701315

IUPAC9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one
SMILESCc1ccc2c(c1)N1CCNCC1NC2=O
InChIInChI=1S/C12H15N3O/c1-8-2-3-9-10(6-8)15-5-4-13-7-11(15)14-12(9)16/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
InChIKeyNJFUCAPBXYJVNU-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.47
Rot. Bonds

About 9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one

9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one (PubChem CID 11701315) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one.

Molecular Properties

Compound Name9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one
PubChem CID11701315
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one
SMILESCc1ccc2c(c1)N1CCNCC1NC2=O
InChIInChI=1S/C12H15N3O/c1-8-2-3-9-10(6-8)15-5-4-13-7-11(15)14-12(9)16/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
InChIKeyNJFUCAPBXYJVNU-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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CID 14807234
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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one?
The IUPAC name of 9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one (CID 11701315) is 9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one.
What is the SMILES notation for 9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one?
The canonical SMILES for 9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one is Cc1ccc2c(c1)N1CCNCC1NC2=O.
What is the InChIKey of 9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one?
The InChIKey is NJFUCAPBXYJVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-2-3-9-10(6-8)15-5-4-13-7-11(15)14-12(9)16/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16).
What are the key properties of 9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one?
9-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 9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one is sourced from PubChem (CID 11701315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).