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

C9H14N8O2 — CID 137309429

IUPAC6-amino-8-[(E)-[ethyl(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one
SMILESCCN(CCO)/N=N/c1nc2nc(=O)[nH]c(N)c2[nH]1
InChIInChI=1S/C9H14N8O2/c1-2-17(3-4-18)16-15-8-11-5-6(10)12-9(19)14-7(5)13-8/h18H,2-4H2,1H3,(H4,10,11,12,13,14,19)/b16-15+
InChIKeyPUJXOSPCKCMENL-FOCLMDBBSA-N
MW266.26 g/mol
LogP-0.46
Rot. Bonds5

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

6-amino-8-[(E)-[ethyl(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one (PubChem CID 137309429) has the molecular formula C9H14N8O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 6-amino-8-[(E)-[ethyl(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-amino-8-[(E)-[ethyl(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one
PubChem CID137309429
Molecular FormulaC9H14N8O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name6-amino-8-[(E)-[ethyl(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one
SMILESCCN(CCO)/N=N/c1nc2nc(=O)[nH]c(N)c2[nH]1
InChIInChI=1S/C9H14N8O2/c1-2-17(3-4-18)16-15-8-11-5-6(10)12-9(19)14-7(5)13-8/h18H,2-4H2,1H3,(H4,10,11,12,13,14,19)/b16-15+
InChIKeyPUJXOSPCKCMENL-FOCLMDBBSA-N
XLogP-0.46
TPSA148.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.46
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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Related Compounds

6-amino-8-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1,7-dihydropurin-2-one
CID 137309388
6-amino-8-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one
CID 137309426
6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one
CID 137309433
6-[(2-Hydroxyethyl)amino]-9-methyl-1,9-dihydro-2H-purin-2-one
CID 71395312

Frequently Asked Questions

What is the IUPAC name of 6-amino-8-[(E)-[ethyl(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one?
The IUPAC name of 6-amino-8-[(E)-[ethyl(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one (CID 137309429) is 6-amino-8-[(E)-[ethyl(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one.
What is the SMILES notation for 6-amino-8-[(E)-[ethyl(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one?
The canonical SMILES for 6-amino-8-[(E)-[ethyl(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one is CCN(CCO)/N=N/c1nc2nc(=O)[nH]c(N)c2[nH]1.
What is the InChIKey of 6-amino-8-[(E)-[ethyl(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one?
The InChIKey is PUJXOSPCKCMENL-FOCLMDBBSA-N. The full InChI is InChI=1S/C9H14N8O2/c1-2-17(3-4-18)16-15-8-11-5-6(10)12-9(19)14-7(5)13-8/h18H,2-4H2,1H3,(H4,10,11,12,13,14,19)/b16-15+.
What are the key properties of 6-amino-8-[(E)-[ethyl(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one?
6-amino-8-[(E)-[ethyl(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one has a molecular weight of 266.26 g/mol, XLogP of -0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-[(E)-[ethyl(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one is sourced from PubChem (CID 137309429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).