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

C6H11N3 — CID 54205871

IUPAC3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine
SMILESC1=NC2CNCCN2C1
InChIInChI=1S/C6H11N3/c1-3-9-4-2-8-6(9)5-7-1/h2,6-7H,1,3-5H2
InChIKeyPSKULWQITHVTNB-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.70
Rot. Bonds

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

3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine (PubChem CID 54205871) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine
PubChem CID54205871
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine
SMILESC1=NC2CNCCN2C1
InChIInChI=1S/C6H11N3/c1-3-9-4-2-8-6(9)5-7-1/h2,6-7H,1,3-5H2
InChIKeyPSKULWQITHVTNB-UHFFFAOYSA-N
XLogP-0.70
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine (CID 54205871) is 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine is C1=NC2CNCCN2C1.
What is the InChIKey of 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine?
The InChIKey is PSKULWQITHVTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-9-4-2-8-6(9)5-7-1/h2,6-7H,1,3-5H2.
What are the key properties of 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine?
3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine has a molecular weight of 125.17 g/mol, XLogP of -0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 54205871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).