3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride

C8H9ClN2O2 — CID 69004153

IUPAC3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
SMILESCl.O=C1NCCn2ccc(=O)cc21
InChIInChI=1S/C8H8N2O2.ClH/c11-6-1-3-10-4-2-9-8(12)7(10)5-6;/h1,3,5H,2,4H2,(H,9,12);1H
InChIKeyBXDCQJCQJGEVLM-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.01
Rot. Bonds

About 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride

3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride (PubChem CID 69004153) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
PubChem CID69004153
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
SMILESCl.O=C1NCCn2ccc(=O)cc21
InChIInChI=1S/C8H8N2O2.ClH/c11-6-1-3-10-4-2-9-8(12)7(10)5-6;/h1,3,5H,2,4H2,(H,9,12);1H
InChIKeyBXDCQJCQJGEVLM-UHFFFAOYSA-N
XLogP0.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
The IUPAC name of 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride (CID 69004153) is 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride.
What is the SMILES notation for 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
The canonical SMILES for 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride is Cl.O=C1NCCn2ccc(=O)cc21.
What is the InChIKey of 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
The InChIKey is BXDCQJCQJGEVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.ClH/c11-6-1-3-10-4-2-9-8(12)7(10)5-6;/h1,3,5H,2,4H2,(H,9,12);1H.
What are the key properties of 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride has a molecular weight of 200.63 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride is sourced from PubChem (CID 69004153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).