1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine

C6H13N3 — CID 22562213

IUPAC1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine
SMILESC1CN2CNCC2CN1
InChIInChI=1S/C6H13N3/c1-2-9-5-8-4-6(9)3-7-1/h6-8H,1-5H2
InChIKeyDROWRQIHZCZNEW-UHFFFAOYSA-N
MW127.19 g/mol
LogP-1.18
Rot. Bonds

About 1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine

1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine (PubChem CID 22562213) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine
PubChem CID22562213
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine
SMILESC1CN2CNCC2CN1
InChIInChI=1S/C6H13N3/c1-2-9-5-8-4-6(9)3-7-1/h6-8H,1-5H2
InChIKeyDROWRQIHZCZNEW-UHFFFAOYSA-N
XLogP-1.18
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine
CID 83670813
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CID 71607215
1,2,3,4,5,6,7,9,10,11,12,12a-dodecahydropyrido[1,2-a][1,4,7]triazonine;trihydrobromide
CID 22495462
(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol
CID 142143795
3-(azetidin-1-yl)pyrrolidine;hydrochloride
CID 53414698
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 89465508
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane
CID 145424394
(8aS)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one
CID 55300034
2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride
CID 155822363
1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one
CID 84650199
2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine
CID 91218525
ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 144967260

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine?
The IUPAC name of 1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine (CID 22562213) is 1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine.
What is the SMILES notation for 1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine?
The canonical SMILES for 1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine is C1CN2CNCC2CN1.
What is the InChIKey of 1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine?
The InChIKey is DROWRQIHZCZNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-2-9-5-8-4-6(9)3-7-1/h6-8H,1-5H2.
What are the key properties of 1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine?
1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine has a molecular weight of 127.19 g/mol, XLogP of -1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine is sourced from PubChem (CID 22562213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).