2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol

C8H13N7O2 — CID 67801467

IUPAC2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol
SMILESNNc1nc(N)nc2c1ncn2COCCO
InChIInChI=1S/C8H13N7O2/c9-8-12-6(14-10)5-7(13-8)15(3-11-5)4-17-2-1-16/h3,16H,1-2,4,10H2,(H3,9,12,13,14)
InChIKeyRYGKPBQWBGLTBM-UHFFFAOYSA-N
MW239.24 g/mol
LogP-1.34
Rot. Bonds5

About 2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol

2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol (PubChem CID 67801467) has the molecular formula C8H13N7O2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol.

Molecular Properties

Compound Name2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol
PubChem CID67801467
Molecular FormulaC8H13N7O2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol
SMILESNNc1nc(N)nc2c1ncn2COCCO
InChIInChI=1S/C8H13N7O2/c9-8-12-6(14-10)5-7(13-8)15(3-11-5)4-17-2-1-16/h3,16H,1-2,4,10H2,(H3,9,12,13,14)
InChIKeyRYGKPBQWBGLTBM-UHFFFAOYSA-N
XLogP-1.34
TPSA137.13 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol?
The IUPAC name of 2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol (CID 67801467) is 2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol.
What is the SMILES notation for 2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol?
The canonical SMILES for 2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol is NNc1nc(N)nc2c1ncn2COCCO.
What is the InChIKey of 2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol?
The InChIKey is RYGKPBQWBGLTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7O2/c9-8-12-6(14-10)5-7(13-8)15(3-11-5)4-17-2-1-16/h3,16H,1-2,4,10H2,(H3,9,12,13,14).
What are the key properties of 2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol?
2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol has a molecular weight of 239.24 g/mol, XLogP of -1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol is sourced from PubChem (CID 67801467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).