7H-purine;pyridazine

C₉H₈N₆ — CID 159359816

About 7H-purine;pyridazine

7H-purine;pyridazine (PubChem CID 159359816) has the molecular formula C₉H₈N₆ and a molecular weight of 200.21 g/mol. Its IUPAC name is 7H-purine;pyridazine.

Molecular Properties

• Compound Name: 7H-purine;pyridazine
• PubChem CID: 159359816
• Molecular Formula: C₉H₈N₆
• Molecular Weight: 200.21 g/mol
• Exact Mass: 200.08
• IUPAC Name: 7H-purine;pyridazine
• SMILES: c1ccnnc1.c1ncc2[nH]cnc2n1
• InChI: InChI=1S/C5H4N4.C4H4N2/c1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1/h1-3H,(H,6,7,8,9);1-4H
• InChIKey: LIJUTIVTZVVVQZ-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.21
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7H-purine;pyridazine?

The IUPAC name of 7H-purine;pyridazine (CID 159359816) is 7H-purine;pyridazine.

What is the SMILES notation for 7H-purine;pyridazine?

The canonical SMILES for 7H-purine;pyridazine is c1ccnnc1.c1ncc2[nH]cnc2n1.

What is the InChIKey of 7H-purine;pyridazine?

The InChIKey is LIJUTIVTZVVVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4.C4H4N2/c1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1/h1-3H,(H,6,7,8,9);1-4H.

What are the key properties of 7H-purine;pyridazine?

7H-purine;pyridazine has a molecular weight of 200.21 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7H-purine;pyridazine is sourced from PubChem (CID 159359816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159359816 — identifiers, structure, computed properties (public domain)

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