1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one

C11H19N5O — CID 62938349

IUPAC1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one
SMILESCn1ccnc(NCCN2CCNCC2)c1=O
InChIInChI=1S/C11H19N5O/c1-15-6-4-13-10(11(15)17)14-5-9-16-7-2-12-3-8-16/h4,6,12H,2-3,5,7-9H2,1H3,(H,13,14)
InChIKeyPGJMJECSBCHUOI-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.90
Rot. Bonds4

About 1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one

1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one (PubChem CID 62938349) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one
PubChem CID62938349
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one
SMILESCn1ccnc(NCCN2CCNCC2)c1=O
InChIInChI=1S/C11H19N5O/c1-15-6-4-13-10(11(15)17)14-5-9-16-7-2-12-3-8-16/h4,6,12H,2-3,5,7-9H2,1H3,(H,13,14)
InChIKeyPGJMJECSBCHUOI-UHFFFAOYSA-N
XLogP-0.90
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one (CID 62938349) is 1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one is Cn1ccnc(NCCN2CCNCC2)c1=O.
What is the InChIKey of 1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one?
The InChIKey is PGJMJECSBCHUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15-6-4-13-10(11(15)17)14-5-9-16-7-2-12-3-8-16/h4,6,12H,2-3,5,7-9H2,1H3,(H,13,14).
What are the key properties of 1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one?
1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one has a molecular weight of 237.31 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one is sourced from PubChem (CID 62938349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).