8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one

C7H9N7O — CID 137241497

IUPAC8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one
SMILESCN(C)N=Nc1nc2nc[nH]c(=O)c2[nH]1
InChIInChI=1S/C7H9N7O/c1-14(2)13-12-7-10-4-5(11-7)8-3-9-6(4)15/h3H,1-2H3,(H2,8,9,10,11,15)
InChIKeyZGUZIUAYOJECHQ-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.21
Rot. Bonds2

About 8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one

8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one (PubChem CID 137241497) has the molecular formula C7H9N7O and a molecular weight of 207.20 g/mol. Its IUPAC name is 8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one
PubChem CID137241497
Molecular FormulaC7H9N7O
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC Name8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one
SMILESCN(C)N=Nc1nc2nc[nH]c(=O)c2[nH]1
InChIInChI=1S/C7H9N7O/c1-14(2)13-12-7-10-4-5(11-7)8-3-9-6(4)15/h3H,1-2H3,(H2,8,9,10,11,15)
InChIKeyZGUZIUAYOJECHQ-UHFFFAOYSA-N
XLogP0.21
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

8-[[2-chloroethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-6-one
CID 135531899
6-oxo-1,7-dihydropurine-8-sulfonamide
CID 135422177
1,7-dihydropurin-6-one
CID 135546991
6-oxo-1,7-dihydropurine-8-carbonitrile
CID 135559145
3,5-dihydropteridine-4,6-dione
CID 135755313
azane;1,7-dihydropurin-6-one
CID 158320966
8-(4-methylpiperazin-4-ium-1-yl)-1,7-dihydropurin-6-one
CID 135832656
8-pyridin-4-yl-1,7-dihydropurin-6-one
CID 135672354
(6-oxo-1,7-dihydropurin-8-yl) thiocyanate
CID 136951542
2-methyl-1,7-dihydropurin-6-one
CID 135449674
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
CID 135997841
CID 135997841

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one?
The IUPAC name of 8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one (CID 137241497) is 8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one.
What is the SMILES notation for 8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one?
The canonical SMILES for 8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one is CN(C)N=Nc1nc2nc[nH]c(=O)c2[nH]1.
What is the InChIKey of 8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one?
The InChIKey is ZGUZIUAYOJECHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7O/c1-14(2)13-12-7-10-4-5(11-7)8-3-9-6(4)15/h3H,1-2H3,(H2,8,9,10,11,15).
What are the key properties of 8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one?
8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one has a molecular weight of 207.20 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one is sourced from PubChem (CID 137241497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).