1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one

C11H19N3O2 — CID 62928979

IUPAC1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one
SMILESCCn1ccnc(NCC(C)COC)c1=O
InChIInChI=1S/C11H19N3O2/c1-4-14-6-5-12-10(11(14)15)13-7-9(2)8-16-3/h5-6,9H,4,7-8H2,1-3H3,(H,12,13)
InChIKeyJHZDDBLUARDLQQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.96
Rot. Bonds6

About 1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one

1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one (PubChem CID 62928979) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one
PubChem CID62928979
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one
SMILESCCn1ccnc(NCC(C)COC)c1=O
InChIInChI=1S/C11H19N3O2/c1-4-14-6-5-12-10(11(14)15)13-7-9(2)8-16-3/h5-6,9H,4,7-8H2,1-3H3,(H,12,13)
InChIKeyJHZDDBLUARDLQQ-UHFFFAOYSA-N
XLogP0.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one (CID 62928979) is 1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one is CCn1ccnc(NCC(C)COC)c1=O.
What is the InChIKey of 1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one?
The InChIKey is JHZDDBLUARDLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-14-6-5-12-10(11(14)15)13-7-9(2)8-16-3/h5-6,9H,4,7-8H2,1-3H3,(H,12,13).
What are the key properties of 1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one?
1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one has a molecular weight of 225.29 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-methoxy-2-methylpropyl)amino]pyrazin-2-one is sourced from PubChem (CID 62928979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).