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

C14H23N3O — CID 115883841

IUPAC3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCC2CCC2)c1=O
InChIInChI=1S/C14H23N3O/c1-11(2)10-17-9-8-16-13(14(17)18)15-7-6-12-4-3-5-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,15,16)
InChIKeyBEKOYIWYZQZMJZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.50
Rot. Bonds6

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

3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 115883841) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID115883841
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCC2CCC2)c1=O
InChIInChI=1S/C14H23N3O/c1-11(2)10-17-9-8-16-13(14(17)18)15-7-6-12-4-3-5-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,15,16)
InChIKeyBEKOYIWYZQZMJZ-UHFFFAOYSA-N
XLogP2.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopentylethyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106563409
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928309
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
N-cyclopropyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
CID 79394717
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 64927091
3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 107816214
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069
N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
CID 115883760
3-[[2-(dimethylamino)-2-methylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156417
1-(2-methylpropyl)-3-(3-methylsulfonylpropylamino)pyrazin-2-one
CID 55157563

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one (CID 115883841) is 3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NCCC2CCC2)c1=O.
What is the InChIKey of 3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is BEKOYIWYZQZMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)10-17-9-8-16-13(14(17)18)15-7-6-12-4-3-5-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one?
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 115883841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).