3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione

C8H12N2O2 — CID 10535107

IUPAC3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CCCCC12
InChIInChI=1S/C8H12N2O2/c11-7-5-9-8(12)6-3-1-2-4-10(6)7/h6H,1-5H2,(H,9,12)
InChIKeyYXBLPNSWHUPKPH-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.50
Rot. Bonds

About 3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione

3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 10535107) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
PubChem CID10535107
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CCCCC12
InChIInChI=1S/C8H12N2O2/c11-7-5-9-8(12)6-3-1-2-4-10(6)7/h6H,1-5H2,(H,9,12)
InChIKeyYXBLPNSWHUPKPH-UHFFFAOYSA-N
XLogP-0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione (CID 10535107) is 3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione is O=C1NCC(=O)N2CCCCC12.
What is the InChIKey of 3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is YXBLPNSWHUPKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-7-5-9-8(12)6-3-1-2-4-10(6)7/h6H,1-5H2,(H,9,12).
What are the key properties of 3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione?
3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 168.20 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 10535107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).