1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone

C10H13N3O — CID 83829812

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cnc2c(n1)CCC2
InChIInChI=1S/C10H13N3O/c1-11-6-10(14)9-5-12-7-3-2-4-8(7)13-9/h5,11H,2-4,6H2,1H3
InChIKeyDXIBBTQORIEAGW-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.37
Rot. Bonds3

About 1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone

1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone (PubChem CID 83829812) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone
PubChem CID83829812
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cnc2c(n1)CCC2
InChIInChI=1S/C10H13N3O/c1-11-6-10(14)9-5-12-7-3-2-4-8(7)13-9/h5,11H,2-4,6H2,1H3
InChIKeyDXIBBTQORIEAGW-UHFFFAOYSA-N
XLogP0.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone (CID 83829812) is 1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone is CNCC(=O)c1cnc2c(n1)CCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone?
The InChIKey is DXIBBTQORIEAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-11-6-10(14)9-5-12-7-3-2-4-8(7)13-9/h5,11H,2-4,6H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone?
1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone has a molecular weight of 191.23 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 83829812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).