9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one

C10H14N6O5 — CID 135488830

About 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one

9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one (PubChem CID 135488830) has the molecular formula C10H14N6O5 and a molecular weight of 298.26 g/mol. Its IUPAC name is 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one.

Molecular Properties

• Compound Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one
• PubChem CID: 135488830
• Molecular Formula: C10H14N6O5
• Molecular Weight: 298.26 g/mol
• Exact Mass: 298.10
• IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one
• SMILES: NNc1nc2c(=O)[nH]cnc2n1C1OC(CO)C(O)C1O
• InChI: InChI=1S/C10H14N6O5/c11-15-10-14-4-7(12-2-13-8(4)20)16(10)9-6(19)5(18)3(1-17)21-9/h2-3,5-6,9,17-19H,1,11H2,(H,14,15)(H,12,13,20)
• InChIKey: PMXVGDNORARWRS-UHFFFAOYSA-N
• XLogP: -2.98
• TPSA: 171.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	298.26
LogP ≤ 5	-2.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one?

The IUPAC name of 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one (CID 135488830) is 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one.

What is the SMILES notation for 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one?

The canonical SMILES for 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one is NNc1nc2c(=O)[nH]cnc2n1C1OC(CO)C(O)C1O.

What is the InChIKey of 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one?

The InChIKey is PMXVGDNORARWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O5/c11-15-10-14-4-7(12-2-13-8(4)20)16(10)9-6(19)5(18)3(1-17)21-9/h2-3,5-6,9,17-19H,1,11H2,(H,14,15)(H,12,13,20).

What are the key properties of 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one?

9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one has a molecular weight of 298.26 g/mol, XLogP of -2.98, 3 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one is sourced from PubChem (CID 135488830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).