3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one

C11H20N4O — CID 62927277

IUPAC3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCNCCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C11H20N4O/c1-9(2)8-15-7-6-14-10(11(15)16)13-5-4-12-3/h6-7,9,12H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyAMPBLTGXIMACMK-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.53
Rot. Bonds6

About 3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one

3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62927277) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62927277
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCNCCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C11H20N4O/c1-9(2)8-15-7-6-14-10(11(15)16)13-5-4-12-3/h6-7,9,12H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyAMPBLTGXIMACMK-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 62927277) is 3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one is CNCCNc1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is AMPBLTGXIMACMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)8-15-7-6-14-10(11(15)16)13-5-4-12-3/h6-7,9,12H,4-5,8H2,1-3H3,(H,13,14).
What are the key properties of 3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)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 3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62927277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).