Ethanol;7H-purine

C₇H₁₀N₄O — CID 134205486

About Ethanol;7H-purine

Ethanol;7H-purine (PubChem CID 134205486) has the molecular formula C₇H₁₀N₄O and a molecular weight of 166.18 g/mol. Its IUPAC name is ethanol;7H-purine.

Molecular Properties

• Compound Name: Ethanol;7H-purine
• PubChem CID: 134205486
• Molecular Formula: C₇H₁₀N₄O
• Molecular Weight: 166.18 g/mol
• Exact Mass: 166.09
• IUPAC Name: ethanol;7H-purine
• SMILES: CCO.c1ncc2[nH]cnc2n1
• InChI: InChI=1S/C5H4N4.C2H6O/c1-4-5(8-2-6-1)9-3-7-4;1-2-3/h1-3H,(H,6,7,8,9);3H,2H2,1H3
• InChIKey: VOJIQCAVDJAYHT-UHFFFAOYSA-N
• XLogP: 0.35
• TPSA: 74.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.18
LogP ≤ 5	0.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of Ethanol;7H-purine (CID 134205486) is ethanol;7H-purine.

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

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

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

The InChIKey is VOJIQCAVDJAYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4.C2H6O/c1-4-5(8-2-6-1)9-3-7-4;1-2-3/h1-3H,(H,6,7,8,9);3H,2H2,1H3.

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

Ethanol;7H-purine has a molecular weight of 166.18 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethanol;7H-purine is sourced from PubChem (CID 134205486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134205486 — identifiers, structure, computed properties (public domain)

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