ethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one

C10H15N3O — CID 145423041

IUPACethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
SMILESCC.CN1CCn2c(nc#cc2=O)C1
InChIInChI=1S/C8H9N3O.C2H6/c1-10-4-5-11-7(6-10)9-3-2-8(11)12;1-2/h4-6H2,1H3;1-2H3
InChIKeyXJDFUKIJSWVHCP-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.32
Rot. Bonds

About ethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one

ethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 145423041) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is ethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
PubChem CID145423041
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Nameethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
SMILESCC.CN1CCn2c(nc#cc2=O)C1
InChIInChI=1S/C8H9N3O.C2H6/c1-10-4-5-11-7(6-10)9-3-2-8(11)12;1-2/h4-6H2,1H3;1-2H3
InChIKeyXJDFUKIJSWVHCP-UHFFFAOYSA-N
XLogP0.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of ethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one (CID 145423041) is ethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for ethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for ethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one is CC.CN1CCn2c(nc#cc2=O)C1.
What is the InChIKey of ethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is XJDFUKIJSWVHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O.C2H6/c1-10-4-5-11-7(6-10)9-3-2-8(11)12;1-2/h4-6H2,1H3;1-2H3.
What are the key properties of ethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
ethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 193.25 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 145423041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).