1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium

C8H18N2+2 — CID 4711694

IUPAC1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium
SMILESC1CC[NH+]2CC[NH2+]CC2C1
InChIInChI=1S/C8H16N2/c1-2-5-10-6-4-9-7-8(10)3-1/h8-9H,1-7H2/p+2
InChIKeyONHPOXROAPYCGT-UHFFFAOYSA-P
MW142.25 g/mol
LogP-2.00
Rot. Bonds

About 1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium

1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium (PubChem CID 4711694) has the molecular formula C8H18N2+2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium
PubChem CID4711694
Molecular FormulaC8H18N2+2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium
SMILESC1CC[NH+]2CC[NH2+]CC2C1
InChIInChI=1S/C8H16N2/c1-2-5-10-6-4-9-7-8(10)3-1/h8-9H,1-7H2/p+2
InChIKeyONHPOXROAPYCGT-UHFFFAOYSA-P
XLogP-2.00
TPSA21.05 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dicyclohexylpiperazine-1,4-diium
CID 4743451
2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium
CID 3758594
1-cyclooctyl-4-methylpiperazine-1,4-diium
CID 6938601
(1-cyclopentylpiperidin-1-ium-4-yl)azanium
CID 7183175
1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide
CID 159786967
1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67340942
2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate
CID 44887480
(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium
CID 36690052
1-(cyclopentylmethyl)piperazine-1,4-diium
CID 6955846
1-[(1R,3R)-3-methylcyclohexyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium
CID 7410064
(1S,8aR)-1-cyclohexyl-2,3,4,5,6,7,8,8a-octahydro-1H-pyrrolo[1,2-a]pyrazine-2,5-diium
CID 7079696
(3R)-3-fluoropiperidin-1-ium
CID 7158199

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium?
The IUPAC name of 1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium (CID 4711694) is 1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium.
What is the SMILES notation for 1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium?
The canonical SMILES for 1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium is C1CC[NH+]2CC[NH2+]CC2C1.
What is the InChIKey of 1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium?
The InChIKey is ONHPOXROAPYCGT-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H16N2/c1-2-5-10-6-4-9-7-8(10)3-1/h8-9H,1-7H2/p+2.
What are the key properties of 1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium?
1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium has a molecular weight of 142.25 g/mol, XLogP of -2.00, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium is sourced from PubChem (CID 4711694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).