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

C6H11N3 — CID 45087255

IUPAC1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine
SMILESC1=NCCN2CCNC12
InChIInChI=1S/C6H11N3/c1-3-9-4-2-8-6(9)5-7-1/h5-6,8H,1-4H2
InChIKeyVXACFAZSAXHOHA-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.70
Rot. Bonds

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

1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine (PubChem CID 45087255) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine
PubChem CID45087255
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine
SMILESC1=NCCN2CCNC12
InChIInChI=1S/C6H11N3/c1-3-9-4-2-8-6(9)5-7-1/h5-6,8H,1-4H2
InChIKeyVXACFAZSAXHOHA-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 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine (CID 45087255) is 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine is C1=NCCN2CCNC12.
What is the InChIKey of 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine?
The InChIKey is VXACFAZSAXHOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-9-4-2-8-6(9)5-7-1/h5-6,8H,1-4H2.
What are the key properties of 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine?
1,2,3,5,6,8a-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 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 45087255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).