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

C10H10N4O2 — CID 59591264

IUPAC6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde
SMILESCOc1nc(C=O)cnc1-n1cnc(C)c1
InChIInChI=1S/C10H10N4O2/c1-7-4-14(6-12-7)9-10(16-2)13-8(5-15)3-11-9/h3-6H,1-2H3
InChIKeyHEVLLDLQUPPCSD-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.79
Rot. Bonds3

About 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde

6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde (PubChem CID 59591264) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde
PubChem CID59591264
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde
SMILESCOc1nc(C=O)cnc1-n1cnc(C)c1
InChIInChI=1S/C10H10N4O2/c1-7-4-14(6-12-7)9-10(16-2)13-8(5-15)3-11-9/h3-6H,1-2H3
InChIKeyHEVLLDLQUPPCSD-UHFFFAOYSA-N
XLogP0.79
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde?
The IUPAC name of 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde (CID 59591264) is 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde.
What is the SMILES notation for 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde?
The canonical SMILES for 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde is COc1nc(C=O)cnc1-n1cnc(C)c1.
What is the InChIKey of 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde?
The InChIKey is HEVLLDLQUPPCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-4-14(6-12-7)9-10(16-2)13-8(5-15)3-11-9/h3-6H,1-2H3.
What are the key properties of 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde?
6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde has a molecular weight of 218.22 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carbaldehyde is sourced from PubChem (CID 59591264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).