1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one

C12H17N3O3 — CID 22969754

IUPAC1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NCC(C)=O)c1=O
InChIInChI=1S/C12H17N3O3/c1-4-10(9(3)17)15-6-5-13-11(12(15)18)14-7-8(2)16/h5-6,10H,4,7H2,1-3H3,(H,13,14)
InChIKeyOTQOUCOKYGVGES-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.78
Rot. Bonds6

About 1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one

1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one (PubChem CID 22969754) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one
PubChem CID22969754
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NCC(C)=O)c1=O
InChIInChI=1S/C12H17N3O3/c1-4-10(9(3)17)15-6-5-13-11(12(15)18)14-7-8(2)16/h5-6,10H,4,7H2,1-3H3,(H,13,14)
InChIKeyOTQOUCOKYGVGES-UHFFFAOYSA-N
XLogP0.78
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Cyclopentylamino)-1-propyl-1,2-dihydropyrazin-2-one
CID 53015089
3-[(Propan-2-yl)amino]-1-propyl-1,2-dihydropyrazin-2-one
CID 53015090
1-(Propan-2-yl)-3-(propylamino)-1,2-dihydropyrazin-2-one
CID 53015093
1-Ethyl-3-[(propan-2-yl)amino]-1,2-dihydropyrazin-2-one
CID 53015095
3-(Cyclopentylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015099
3-(2-Methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one
CID 22969695
3-(3-Methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one
CID 22969699
1-(2-Oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one
CID 22969712
1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
CID 59125798
1-Methyl-1-(3-oxobutan-2-yl)imidazol-1-ium-2-carboxamide
CID 87285635
3-(Methylamino)-1-(3-oxobutan-2-yl)pyrazin-2-one
CID 89803166
2-[3-(2,3-diiminobutylamino)-2-oxopyrazin-1-yl]-N-(2-oxopropyl)butanamide
CID 142039095

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one?
The IUPAC name of 1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one (CID 22969754) is 1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one.
What is the SMILES notation for 1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one?
The canonical SMILES for 1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one is CCC(C(C)=O)n1ccnc(NCC(C)=O)c1=O.
What is the InChIKey of 1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one?
The InChIKey is OTQOUCOKYGVGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-10(9(3)17)15-6-5-13-11(12(15)18)14-7-8(2)16/h5-6,10H,4,7H2,1-3H3,(H,13,14).
What are the key properties of 1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one?
1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one has a molecular weight of 251.29 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one is sourced from PubChem (CID 22969754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).