1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride

C8H15ClN2O — CID 71757832

IUPAC1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride
SMILESCl.O=C1CN2CCCCC2CN1
InChIInChI=1S/C8H14N2O.ClH/c11-8-6-10-4-2-1-3-7(10)5-9-8;/h7H,1-6H2,(H,9,11);1H
InChIKeyYRHHWRFYFJHUQH-UHFFFAOYSA-N
MW190.67 g/mol
LogP0.39
Rot. Bonds

About 1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride

1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride (PubChem CID 71757832) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride.

Molecular Properties

Compound Name1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride
PubChem CID71757832
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride
SMILESCl.O=C1CN2CCCCC2CN1
InChIInChI=1S/C8H14N2O.ClH/c11-8-6-10-4-2-1-3-7(10)5-9-8;/h7H,1-6H2,(H,9,11);1H
InChIKeyYRHHWRFYFJHUQH-UHFFFAOYSA-N
XLogP0.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride?
The IUPAC name of 1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride (CID 71757832) is 1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride.
What is the SMILES notation for 1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride?
The canonical SMILES for 1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride is Cl.O=C1CN2CCCCC2CN1.
What is the InChIKey of 1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride?
The InChIKey is YRHHWRFYFJHUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.ClH/c11-8-6-10-4-2-1-3-7(10)5-9-8;/h7H,1-6H2,(H,9,11);1H.
What are the key properties of 1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride?
1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride has a molecular weight of 190.67 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-3-one;hydrochloride is sourced from PubChem (CID 71757832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).