6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde

C₁₀H₁₃ClN₄O — CID 123546066

About 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde

6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde (PubChem CID 123546066) has the molecular formula C₁₀H₁₃ClN₄O and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde.

Molecular Properties

• Compound Name: 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde
• PubChem CID: 123546066
• Molecular Formula: C₁₀H₁₃ClN₄O
• Molecular Weight: 240.69 g/mol
• Exact Mass: 240.08
• IUPAC Name: 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde
• SMILES: CN1CCN(c2ncc(C=O)nc2Cl)CC1
• InChI: InChI=1S/C10H13ClN4O/c1-14-2-4-15(5-3-14)10-9(11)13-8(7-16)6-12-10/h6-7H,2-5H2,1H3
• InChIKey: WRPVYUXEYZYNTB-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 49.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	240.69
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde?

The IUPAC name of 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde (CID 123546066) is 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde.

What is the SMILES notation for 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde?

The canonical SMILES for 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde is CN1CCN(c2ncc(C=O)nc2Cl)CC1.

What is the InChIKey of 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde?

The InChIKey is WRPVYUXEYZYNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-14-2-4-15(5-3-14)10-9(11)13-8(7-16)6-12-10/h6-7H,2-5H2,1H3.

What are the key properties of 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde?

6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde has a molecular weight of 240.69 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde is sourced from PubChem (CID 123546066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123546066 — identifiers, structure, computed properties (public domain)

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