5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde

C9H8N4O — CID 59591297

IUPAC5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde
SMILESCc1cn(-c2cnc(C=O)cn2)cn1
InChIInChI=1S/C9H8N4O/c1-7-4-13(6-12-7)9-3-10-8(5-14)2-11-9/h2-6H,1H3
InChIKeySPWUTBJDVOHHGA-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.78
Rot. Bonds2

About 5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde

5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde (PubChem CID 59591297) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde
PubChem CID59591297
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde
SMILESCc1cn(-c2cnc(C=O)cn2)cn1
InChIInChI=1S/C9H8N4O/c1-7-4-13(6-12-7)9-3-10-8(5-14)2-11-9/h2-6H,1H3
InChIKeySPWUTBJDVOHHGA-UHFFFAOYSA-N
XLogP0.78
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde?
The IUPAC name of 5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde (CID 59591297) is 5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde.
What is the SMILES notation for 5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde?
The canonical SMILES for 5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde is Cc1cn(-c2cnc(C=O)cn2)cn1.
What is the InChIKey of 5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde?
The InChIKey is SPWUTBJDVOHHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-7-4-13(6-12-7)9-3-10-8(5-14)2-11-9/h2-6H,1H3.
What are the key properties of 5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde?
5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde has a molecular weight of 188.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde is sourced from PubChem (CID 59591297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).