2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one

C10H15N7O4 — CID 136663933

About 2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one

2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one (PubChem CID 136663933) has the molecular formula C10H15N7O4 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one.

Molecular Properties

• Compound Name: 2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one
• PubChem CID: 136663933
• Molecular Formula: C10H15N7O4
• Molecular Weight: 297.28 g/mol
• Exact Mass: 297.12
• IUPAC Name: 2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one
• SMILES: NNC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O)[C@H]1O
• InChI: InChI=1S/C10H15N7O4/c11-10-15-7-4(8(20)16-10)13-2-17(7)9-6(19)5(18)3(21-9)1-14-12/h2-3,5-6,9,14,18-19H,1,12H2,(H3,11,15,16,20)/t3-,5+,6?,9-/m1/s1
• InChIKey: LOYADLCSEREDBG-ACJOCUEISA-N
• XLogP: -3.22
• TPSA: 177.33 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	297.28
LogP ≤ 5	-3.22
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 2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one?

The IUPAC name of 2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one (CID 136663933) is 2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one.

What is the SMILES notation for 2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one?

The canonical SMILES for 2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one is NNC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O)[C@H]1O.

What is the InChIKey of 2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one?

The InChIKey is LOYADLCSEREDBG-ACJOCUEISA-N. The full InChI is InChI=1S/C10H15N7O4/c11-10-15-7-4(8(20)16-10)13-2-17(7)9-6(19)5(18)3(21-9)1-14-12/h2-3,5-6,9,14,18-19H,1,12H2,(H3,11,15,16,20)/t3-,5+,6?,9-/m1/s1.

What are the key properties of 2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one?

2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one has a molecular weight of 297.28 g/mol, XLogP of -3.22, 3 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[(2R,4R,5R)-5-(hydrazinylmethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 136663933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).