(8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine

C6H11N3 — CID 98053019

IUPAC(8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine
SMILESC1=CN2CCNC[C@H]2N1
InChIInChI=1S/C6H11N3/c1-3-9-4-2-8-6(9)5-7-1/h2,4,6-8H,1,3,5H2/t6-/m0/s1
InChIKeyOFHKYKACBGEXBT-LURJTMIESA-N
MW125.17 g/mol
LogP-0.71
Rot. Bonds

About (8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine

(8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine (PubChem CID 98053019) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine
PubChem CID98053019
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine
SMILESC1=CN2CCNC[C@H]2N1
InChIInChI=1S/C6H11N3/c1-3-9-4-2-8-6(9)5-7-1/h2,4,6-8H,1,3,5H2/t6-/m0/s1
InChIKeyOFHKYKACBGEXBT-LURJTMIESA-N
XLogP-0.71
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine?
The IUPAC name of (8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine (CID 98053019) is (8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for (8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for (8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine is C1=CN2CCNC[C@H]2N1.
What is the InChIKey of (8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine?
The InChIKey is OFHKYKACBGEXBT-LURJTMIESA-N. The full InChI is InChI=1S/C6H11N3/c1-3-9-4-2-8-6(9)5-7-1/h2,4,6-8H,1,3,5H2/t6-/m0/s1.
What are the key properties of (8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine?
(8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine has a molecular weight of 125.17 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 98053019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).