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

C8H12N2O2 — CID 123141221

IUPAC3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
SMILESO=C1NCCN2C(=O)CCCC12
InChIInChI=1S/C8H12N2O2/c11-7-3-1-2-6-8(12)9-4-5-10(6)7/h6H,1-5H2,(H,9,12)
InChIKeyXGNQKJJNLAJNCW-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.50
Rot. Bonds

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

3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 123141221) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
PubChem CID123141221
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
SMILESO=C1NCCN2C(=O)CCCC12
InChIInChI=1S/C8H12N2O2/c11-7-3-1-2-6-8(12)9-4-5-10(6)7/h6H,1-5H2,(H,9,12)
InChIKeyXGNQKJJNLAJNCW-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 3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione (CID 123141221) is 3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione is O=C1NCCN2C(=O)CCCC12.
What is the InChIKey of 3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is XGNQKJJNLAJNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-7-3-1-2-6-8(12)9-4-5-10(6)7/h6H,1-5H2,(H,9,12).
What are the key properties of 3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione?
3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-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 3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 123141221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).