1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one

C14H22N4O2 — CID 115765269

IUPAC1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC(=O)N2CCCC2)c1=O
InChIInChI=1S/C14H22N4O2/c1-11(2)10-18-8-5-15-13(14(18)20)16-9-12(19)17-6-3-4-7-17/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,15,16)
InChIKeyVIRSERKSPDKRJO-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.93
Rot. Bonds5

About 1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one

1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one (PubChem CID 115765269) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one
PubChem CID115765269
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC(=O)N2CCCC2)c1=O
InChIInChI=1S/C14H22N4O2/c1-11(2)10-18-8-5-15-13(14(18)20)16-9-12(19)17-6-3-4-7-17/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,15,16)
InChIKeyVIRSERKSPDKRJO-UHFFFAOYSA-N
XLogP0.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one
CID 62929883
1-cyclopropyl-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one
CID 112561891
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069
3-[[2-(dimethylamino)-2-methylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156417
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 64927091
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106185827
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 115883841
N-cyclopropyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
CID 79394717
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one (CID 115765269) is 1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one is CC(C)Cn1ccnc(NCC(=O)N2CCCC2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one?
The InChIKey is VIRSERKSPDKRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(2)10-18-8-5-15-13(14(18)20)16-9-12(19)17-6-3-4-7-17/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one?
1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one has a molecular weight of 278.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one is sourced from PubChem (CID 115765269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).