6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one

C8H12N8O2 — CID 137309388

IUPAC6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one
SMILESCN(CCO)/N=N/c1nc2nc(=O)[nH]c(N)c2[nH]1
InChIInChI=1S/C8H12N8O2/c1-16(2-3-17)15-14-7-10-4-5(9)11-8(18)13-6(4)12-7/h17H,2-3H2,1H3,(H4,9,10,11,12,13,18)/b15-14+
InChIKeyHGTQPLLRWUAFRX-CCEZHUSRSA-N
MW252.24 g/mol
LogP-0.85
Rot. Bonds4

About 6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one

6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one (PubChem CID 137309388) has the molecular formula C8H12N8O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one
PubChem CID137309388
Molecular FormulaC8H12N8O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one
SMILESCN(CCO)/N=N/c1nc2nc(=O)[nH]c(N)c2[nH]1
InChIInChI=1S/C8H12N8O2/c1-16(2-3-17)15-14-7-10-4-5(9)11-8(18)13-6(4)12-7/h17H,2-3H2,1H3,(H4,9,10,11,12,13,18)/b15-14+
InChIKeyHGTQPLLRWUAFRX-CCEZHUSRSA-N
XLogP-0.85
TPSA148.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one?
The IUPAC name of 6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one (CID 137309388) is 6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one.
What is the SMILES notation for 6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one?
The canonical SMILES for 6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one is CN(CCO)/N=N/c1nc2nc(=O)[nH]c(N)c2[nH]1.
What is the InChIKey of 6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one?
The InChIKey is HGTQPLLRWUAFRX-CCEZHUSRSA-N. The full InChI is InChI=1S/C8H12N8O2/c1-16(2-3-17)15-14-7-10-4-5(9)11-8(18)13-6(4)12-7/h17H,2-3H2,1H3,(H4,9,10,11,12,13,18)/b15-14+.
What are the key properties of 6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one?
6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one has a molecular weight of 252.24 g/mol, XLogP of -0.85, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one is sourced from PubChem (CID 137309388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).