1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one

C9H13N3O — CID 171352189

IUPAC1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one
SMILESCN1CCNc2c1ccn(C)c2=O
InChIInChI=1S/C9H13N3O/c1-11-6-4-10-8-7(11)3-5-12(2)9(8)13/h3,5,10H,4,6H2,1-2H3
InChIKeyDOHCVSNORATRFD-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.25
Rot. Bonds

About 1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one

1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one (PubChem CID 171352189) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one
PubChem CID171352189
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one
SMILESCN1CCNc2c1ccn(C)c2=O
InChIInChI=1S/C9H13N3O/c1-11-6-4-10-8-7(11)3-5-12(2)9(8)13/h3,5,10H,4,6H2,1-2H3
InChIKeyDOHCVSNORATRFD-UHFFFAOYSA-N
XLogP0.25
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one?
The IUPAC name of 1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one (CID 171352189) is 1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one.
What is the SMILES notation for 1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one?
The canonical SMILES for 1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one is CN1CCNc2c1ccn(C)c2=O.
What is the InChIKey of 1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one?
The InChIKey is DOHCVSNORATRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-11-6-4-10-8-7(11)3-5-12(2)9(8)13/h3,5,10H,4,6H2,1-2H3.
What are the key properties of 1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one?
1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one has a molecular weight of 179.22 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one is sourced from PubChem (CID 171352189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).