1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one

C11H20N4O — CID 115303205

IUPAC1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
SMILESCCn1ccnc(NCC(C)CNC)c1=O
InChIInChI=1S/C11H20N4O/c1-4-15-6-5-13-10(11(15)16)14-8-9(2)7-12-3/h5-6,9,12H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyWWHYBJHFUXVOLF-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.53
Rot. Bonds6

About 1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one

1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one (PubChem CID 115303205) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
PubChem CID115303205
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
SMILESCCn1ccnc(NCC(C)CNC)c1=O
InChIInChI=1S/C11H20N4O/c1-4-15-6-5-13-10(11(15)16)14-8-9(2)7-12-3/h5-6,9,12H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyWWHYBJHFUXVOLF-UHFFFAOYSA-N
XLogP0.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 113282618
3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
CID 115407571
2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
CID 65226468
3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-hydroxypropanamide
CID 106170778
3-[(3-chloro-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 65037499
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
CID 104577036
3-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 64666437
3-[(5-chloro-4-methylpentyl)amino]-1-ethylpyrazin-2-one
CID 106154553
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
3-[(3-methoxy-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62929149
3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 66089767
1-methyl-3-(2-methylbutylamino)pyrazin-2-one
CID 62938700

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one (CID 115303205) is 1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one is CCn1ccnc(NCC(C)CNC)c1=O.
What is the InChIKey of 1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one?
The InChIKey is WWHYBJHFUXVOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-15-6-5-13-10(11(15)16)14-8-9(2)7-12-3/h5-6,9,12H,4,7-8H2,1-3H3,(H,13,14).
What are the key properties of 1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one?
1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one has a molecular weight of 224.31 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one is sourced from PubChem (CID 115303205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).