1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine

C8H12N4 — CID 63172939

IUPAC1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine
SMILES[H]/N=C(\C)N1CCn2ccnc2C1
InChIInChI=1S/C8H12N4/c1-7(9)12-5-4-11-3-2-10-8(11)6-12/h2-3,9H,4-6H2,1H3/b9-7+
InChIKeyCYEBXVMARHJIBF-VQHVLOKHSA-N
MW164.21 g/mol
LogP0.70
Rot. Bonds

About 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine (PubChem CID 63172939) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine
PubChem CID63172939
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine
SMILES[H]/N=C(\C)N1CCn2ccnc2C1
InChIInChI=1S/C8H12N4/c1-7(9)12-5-4-11-3-2-10-8(11)6-12/h2-3,9H,4-6H2,1H3/b9-7+
InChIKeyCYEBXVMARHJIBF-VQHVLOKHSA-N
XLogP0.70
TPSA44.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine?
The IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine (CID 63172939) is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine.
What is the SMILES notation for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine?
The canonical SMILES for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine is [H]/N=C(\C)N1CCn2ccnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine?
The InChIKey is CYEBXVMARHJIBF-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H12N4/c1-7(9)12-5-4-11-3-2-10-8(11)6-12/h2-3,9H,4-6H2,1H3/b9-7+.
What are the key properties of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine?
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine has a molecular weight of 164.21 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-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanimine is sourced from PubChem (CID 63172939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).