3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one

C13H20N4O — CID 55132924

IUPAC3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NCC2CCN(C3CC3)C2)c1=O
InChIInChI=1S/C13H20N4O/c1-16-7-5-14-12(13(16)18)15-8-10-4-6-17(9-10)11-2-3-11/h5,7,10-11H,2-4,6,8-9H2,1H3,(H,14,15)
InChIKeyATSPZUIMWGTNIG-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.68
Rot. Bonds4

About 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one

3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one (PubChem CID 55132924) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one
PubChem CID55132924
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NCC2CCN(C3CC3)C2)c1=O
InChIInChI=1S/C13H20N4O/c1-16-7-5-14-12(13(16)18)15-8-10-4-6-17(9-10)11-2-3-11/h5,7,10-11H,2-4,6,8-9H2,1H3,(H,14,15)
InChIKeyATSPZUIMWGTNIG-UHFFFAOYSA-N
XLogP0.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one (CID 55132924) is 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one is Cn1ccnc(NCC2CCN(C3CC3)C2)c1=O.
What is the InChIKey of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one?
The InChIKey is ATSPZUIMWGTNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-7-5-14-12(13(16)18)15-8-10-4-6-17(9-10)11-2-3-11/h5,7,10-11H,2-4,6,8-9H2,1H3,(H,14,15).
What are the key properties of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one?
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 55132924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).