1-(2-oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one

C14H21N3O3 — CID 22969712

IUPAC1-(2-oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NCCCC(C)=O)c1=O
InChIInChI=1S/C14H21N3O3/c1-4-12(11(3)19)17-9-8-16-13(14(17)20)15-7-5-6-10(2)18/h8-9,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyLYFWJZSFALPMHC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.56
Rot. Bonds8

About 1-(2-oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one

1-(2-oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one (PubChem CID 22969712) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(2-oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one
PubChem CID22969712
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(2-oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NCCCC(C)=O)c1=O
InChIInChI=1S/C14H21N3O3/c1-4-12(11(3)19)17-9-8-16-13(14(17)20)15-7-5-6-10(2)18/h8-9,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyLYFWJZSFALPMHC-UHFFFAOYSA-N
XLogP1.56
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
3-(cyclohexylamino)-1-ethyl-2(1H)-pyrazinone
CID 53015097
3-(Cyclopentylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015099
3-(Cyclopentylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 53015104
3-(Cycloheptylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015096
1-Propan-2-yl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 115520672
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-(2-oxopropylamino)pyrazin-2-one
CID 22969754
1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
CID 59125798

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one?
The IUPAC name of 1-(2-oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one (CID 22969712) is 1-(2-oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one.
What is the SMILES notation for 1-(2-oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one?
The canonical SMILES for 1-(2-oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one is CCC(C(C)=O)n1ccnc(NCCCC(C)=O)c1=O.
What is the InChIKey of 1-(2-oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one?
The InChIKey is LYFWJZSFALPMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-12(11(3)19)17-9-8-16-13(14(17)20)15-7-5-6-10(2)18/h8-9,12H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 1-(2-oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one?
1-(2-oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one has a molecular weight of 279.34 g/mol, XLogP of 1.56, 8 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-(4-oxopentylamino)pyrazin-2-one is sourced from PubChem (CID 22969712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).