8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde

C8H11N3O — CID 177231303

IUPAC8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde
SMILESCC1NCCn2c(C=O)cnc21
InChIInChI=1S/C8H11N3O/c1-6-8-10-4-7(5-12)11(8)3-2-9-6/h4-6,9H,2-3H2,1H3
InChIKeyCUYAQXGXYGATHK-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.36
Rot. Bonds1

About 8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde

8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde (PubChem CID 177231303) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde.

Molecular Properties

Compound Name8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde
PubChem CID177231303
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde
SMILESCC1NCCn2c(C=O)cnc21
InChIInChI=1S/C8H11N3O/c1-6-8-10-4-7(5-12)11(8)3-2-9-6/h4-6,9H,2-3H2,1H3
InChIKeyCUYAQXGXYGATHK-UHFFFAOYSA-N
XLogP0.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde?
The IUPAC name of 8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde (CID 177231303) is 8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde.
What is the SMILES notation for 8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde?
The canonical SMILES for 8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde is CC1NCCn2c(C=O)cnc21.
What is the InChIKey of 8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde?
The InChIKey is CUYAQXGXYGATHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-8-10-4-7(5-12)11(8)3-2-9-6/h4-6,9H,2-3H2,1H3.
What are the key properties of 8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde?
8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde has a molecular weight of 165.20 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carbaldehyde is sourced from PubChem (CID 177231303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).