1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one

C13H25N3O — CID 20705149

IUPAC1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one
SMILESCNC1CC(C)C2C(C)N(C)C(C)C(=O)N2C1
InChIInChI=1S/C13H25N3O/c1-8-6-11(14-4)7-16-12(8)9(2)15(5)10(3)13(16)17/h8-12,14H,6-7H2,1-5H3
InChIKeyNDXCIJBWKJGDSS-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.53
Rot. Bonds1

About 1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one

1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one (PubChem CID 20705149) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one.

Molecular Properties

Compound Name1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one
PubChem CID20705149
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one
SMILESCNC1CC(C)C2C(C)N(C)C(C)C(=O)N2C1
InChIInChI=1S/C13H25N3O/c1-8-6-11(14-4)7-16-12(8)9(2)15(5)10(3)13(16)17/h8-12,14H,6-7H2,1-5H3
InChIKeyNDXCIJBWKJGDSS-UHFFFAOYSA-N
XLogP0.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one?
The IUPAC name of 1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one (CID 20705149) is 1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one.
What is the SMILES notation for 1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one?
The canonical SMILES for 1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one is CNC1CC(C)C2C(C)N(C)C(C)C(=O)N2C1.
What is the InChIKey of 1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one?
The InChIKey is NDXCIJBWKJGDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-8-6-11(14-4)7-16-12(8)9(2)15(5)10(3)13(16)17/h8-12,14H,6-7H2,1-5H3.
What are the key properties of 1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one?
1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one has a molecular weight of 239.36 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,9-tetramethyl-7-(methylamino)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-4-one is sourced from PubChem (CID 20705149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).