3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one

C13H23N3O — CID 55157368

IUPAC3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)CCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C13H23N3O/c1-10(2)5-6-14-12-13(17)16(8-7-15-12)9-11(3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,14,15)
InChIKeyVAUHRJVKASFZDP-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.36
Rot. Bonds6

About 3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one

3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 55157368) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID55157368
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)CCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C13H23N3O/c1-10(2)5-6-14-12-13(17)16(8-7-15-12)9-11(3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,14,15)
InChIKeyVAUHRJVKASFZDP-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one (CID 55157368) is 3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one is CC(C)CCNc1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is VAUHRJVKASFZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)5-6-14-12-13(17)16(8-7-15-12)9-11(3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,14,15).
What are the key properties of 3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one?
3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutylamino)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 55157368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).