6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane

C12H19N3O2 — CID 142820097

IUPAC6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane
SMILESCC.CNc1ncc2n(c1=O)C(C(C)=O)CC2
InChIInChI=1S/C10H13N3O2.C2H6/c1-6(14)8-4-3-7-5-12-9(11-2)10(15)13(7)8;1-2/h5,8H,3-4H2,1-2H3,(H,11,12);1-2H3
InChIKeyZMHCDIWJFLCKAK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.39
Rot. Bonds2

About 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane

6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane (PubChem CID 142820097) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane.

Molecular Properties

Compound Name6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane
PubChem CID142820097
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane
SMILESCC.CNc1ncc2n(c1=O)C(C(C)=O)CC2
InChIInChI=1S/C10H13N3O2.C2H6/c1-6(14)8-4-3-7-5-12-9(11-2)10(15)13(7)8;1-2/h5,8H,3-4H2,1-2H3,(H,11,12);1-2H3
InChIKeyZMHCDIWJFLCKAK-UHFFFAOYSA-N
XLogP1.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane?
The IUPAC name of 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane (CID 142820097) is 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane.
What is the SMILES notation for 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane?
The canonical SMILES for 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane is CC.CNc1ncc2n(c1=O)C(C(C)=O)CC2.
What is the InChIKey of 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane?
The InChIKey is ZMHCDIWJFLCKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2.C2H6/c1-6(14)8-4-3-7-5-12-9(11-2)10(15)13(7)8;1-2/h5,8H,3-4H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane?
6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane has a molecular weight of 237.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;ethane is sourced from PubChem (CID 142820097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).