8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one

C9H13N3O — CID 146394631

IUPAC8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
SMILESCCN1CCn2c(nccc2=O)C1
InChIInChI=1S/C9H13N3O/c1-2-11-5-6-12-8(7-11)10-4-3-9(12)13/h3-4H,2,5-7H2,1H3
InChIKeySJEKRSOWSKRALD-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.08
Rot. Bonds1

About 8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one

8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 146394631) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
PubChem CID146394631
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
SMILESCCN1CCn2c(nccc2=O)C1
InChIInChI=1S/C9H13N3O/c1-2-11-5-6-12-8(7-11)10-4-3-9(12)13/h3-4H,2,5-7H2,1H3
InChIKeySJEKRSOWSKRALD-UHFFFAOYSA-N
XLogP0.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one (CID 146394631) is 8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one is CCN1CCn2c(nccc2=O)C1.
What is the InChIKey of 8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is SJEKRSOWSKRALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-11-5-6-12-8(7-11)10-4-3-9(12)13/h3-4H,2,5-7H2,1H3.
What are the key properties of 8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 146394631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).