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

C13H24N4O — CID 113282618

IUPAC3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCNCC(C)CNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C13H24N4O/c1-10(2)9-17-6-5-15-12(13(17)18)16-8-11(3)7-14-4/h5-6,10-11,14H,7-9H2,1-4H3,(H,15,16)
InChIKeyVDFCFLZNZJEVRL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.17
Rot. Bonds7

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

3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 113282618) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID113282618
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCNCC(C)CNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C13H24N4O/c1-10(2)9-17-6-5-15-12(13(17)18)16-8-11(3)7-14-4/h5-6,10-11,14H,7-9H2,1-4H3,(H,15,16)
InChIKeyVDFCFLZNZJEVRL-UHFFFAOYSA-N
XLogP1.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one (CID 113282618) is 3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one is CNCC(C)CNc1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is VDFCFLZNZJEVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)9-17-6-5-15-12(13(17)18)16-8-11(3)7-14-4/h5-6,10-11,14H,7-9H2,1-4H3,(H,15,16).
What are the key properties of 3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 113282618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).