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

C10H17N3O — CID 62938700

IUPAC1-methyl-3-(2-methylbutylamino)pyrazin-2-one
SMILESCCC(C)CNc1nccn(C)c1=O
InChIInChI=1S/C10H17N3O/c1-4-8(2)7-12-9-10(14)13(3)6-5-11-9/h5-6,8H,4,7H2,1-3H3,(H,11,12)
InChIKeyGYPFKURWEPPHMT-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.24
Rot. Bonds4

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

1-methyl-3-(2-methylbutylamino)pyrazin-2-one (PubChem CID 62938700) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-methyl-3-(2-methylbutylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-methylbutylamino)pyrazin-2-one
PubChem CID62938700
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-methyl-3-(2-methylbutylamino)pyrazin-2-one
SMILESCCC(C)CNc1nccn(C)c1=O
InChIInChI=1S/C10H17N3O/c1-4-8(2)7-12-9-10(14)13(3)6-5-11-9/h5-6,8H,4,7H2,1-3H3,(H,11,12)
InChIKeyGYPFKURWEPPHMT-UHFFFAOYSA-N
XLogP1.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylbutylamino)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(2-methylbutylamino)pyrazin-2-one (CID 62938700) is 1-methyl-3-(2-methylbutylamino)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(2-methylbutylamino)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(2-methylbutylamino)pyrazin-2-one is CCC(C)CNc1nccn(C)c1=O.
What is the InChIKey of 1-methyl-3-(2-methylbutylamino)pyrazin-2-one?
The InChIKey is GYPFKURWEPPHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-8(2)7-12-9-10(14)13(3)6-5-11-9/h5-6,8H,4,7H2,1-3H3,(H,11,12).
What are the key properties of 1-methyl-3-(2-methylbutylamino)pyrazin-2-one?
1-methyl-3-(2-methylbutylamino)pyrazin-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylbutylamino)pyrazin-2-one is sourced from PubChem (CID 62938700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).