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

C9H14N8O3 — CID 137309426

IUPAC6-amino-8-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one
SMILESNc1[nH]c(=O)nc2nc(/N=N/N(CCO)CCO)[nH]c12
InChIInChI=1S/C9H14N8O3/c10-6-5-7(14-9(20)12-6)13-8(11-5)15-16-17(1-3-18)2-4-19/h18-19H,1-4H2,(H4,10,11,12,13,14,20)/b16-15+
InChIKeyUIVJPTOJPMVRLR-FOCLMDBBSA-N
MW282.26 g/mol
LogP-1.49
Rot. Bonds6

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

6-amino-8-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one (PubChem CID 137309426) has the molecular formula C9H14N8O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 6-amino-8-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-amino-8-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one
PubChem CID137309426
Molecular FormulaC9H14N8O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name6-amino-8-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one
SMILESNc1[nH]c(=O)nc2nc(/N=N/N(CCO)CCO)[nH]c12
InChIInChI=1S/C9H14N8O3/c10-6-5-7(14-9(20)12-6)13-8(11-5)15-16-17(1-3-18)2-4-19/h18-19H,1-4H2,(H4,10,11,12,13,14,20)/b16-15+
InChIKeyUIVJPTOJPMVRLR-FOCLMDBBSA-N
XLogP-1.49
TPSA168.87 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-1.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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)-[bis(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one?
The IUPAC name of 6-amino-8-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one (CID 137309426) is 6-amino-8-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one.
What is the SMILES notation for 6-amino-8-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one?
The canonical SMILES for 6-amino-8-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one is Nc1[nH]c(=O)nc2nc(/N=N/N(CCO)CCO)[nH]c12.
What is the InChIKey of 6-amino-8-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one?
The InChIKey is UIVJPTOJPMVRLR-FOCLMDBBSA-N. The full InChI is InChI=1S/C9H14N8O3/c10-6-5-7(14-9(20)12-6)13-8(11-5)15-16-17(1-3-18)2-4-19/h18-19H,1-4H2,(H4,10,11,12,13,14,20)/b16-15+.
What are the key properties of 6-amino-8-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one?
6-amino-8-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one has a molecular weight of 282.26 g/mol, XLogP of -1.49, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1,7-dihydropurin-2-one is sourced from PubChem (CID 137309426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).