1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one

C13H22N4O — CID 55130790

IUPAC1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one
SMILESCC(C)N1CCC(CNc2nccn(C)c2=O)C1
InChIInChI=1S/C13H22N4O/c1-10(2)17-6-4-11(9-17)8-15-12-13(18)16(3)7-5-14-12/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,14,15)
InChIKeyVUNYUDJPBOEIMG-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.92
Rot. Bonds4

About 1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one

1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one (PubChem CID 55130790) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one
PubChem CID55130790
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one
SMILESCC(C)N1CCC(CNc2nccn(C)c2=O)C1
InChIInChI=1S/C13H22N4O/c1-10(2)17-6-4-11(9-17)8-15-12-13(18)16(3)7-5-14-12/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,14,15)
InChIKeyVUNYUDJPBOEIMG-UHFFFAOYSA-N
XLogP0.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one (CID 55130790) is 1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one is CC(C)N1CCC(CNc2nccn(C)c2=O)C1.
What is the InChIKey of 1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one?
The InChIKey is VUNYUDJPBOEIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)17-6-4-11(9-17)8-15-12-13(18)16(3)7-5-14-12/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,14,15).
What are the key properties of 1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one?
1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one is sourced from PubChem (CID 55130790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).