1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one

C13H22N4O — CID 62938803

IUPAC1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one
SMILESCCN1CCC(CNc2nccn(CC)c2=O)C1
InChIInChI=1S/C13H22N4O/c1-3-16-7-5-11(10-16)9-15-12-13(18)17(4-2)8-6-14-12/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,14,15)
InChIKeyRXJSTCMVNKDKNM-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.02
Rot. Bonds5

About 1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one

1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one (PubChem CID 62938803) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one
PubChem CID62938803
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one
SMILESCCN1CCC(CNc2nccn(CC)c2=O)C1
InChIInChI=1S/C13H22N4O/c1-3-16-7-5-11(10-16)9-15-12-13(18)17(4-2)8-6-14-12/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,14,15)
InChIKeyRXJSTCMVNKDKNM-UHFFFAOYSA-N
XLogP1.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one
CID 129474522
1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 113349523
1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one
CID 129006850
6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60855532
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
CID 62000868
1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one
CID 62927574
1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one
CID 55133105
3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
CID 80510426
N-cyclopropyl-1-[(1-ethylpiperidin-4-yl)methyl]imidazol-2-amine
CID 106566972
5-bromo-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80789358
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 62939854

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one (CID 62938803) is 1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one is CCN1CCC(CNc2nccn(CC)c2=O)C1.
What is the InChIKey of 1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one?
The InChIKey is RXJSTCMVNKDKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-16-7-5-11(10-16)9-15-12-13(18)17(4-2)8-6-14-12/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,14,15).
What are the key properties of 1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one?
1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one is sourced from PubChem (CID 62938803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).