[4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid

C11H10AsN7O4 — CID 135470148

IUPAC[4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid
SMILESNc1nc2nc(/N=N/c3ccc([As](=O)(O)O)cc3)[nH]c2c(=O)[nH]1
InChIInChI=1S/C11H10AsN7O4/c13-10-15-8-7(9(20)17-10)14-11(16-8)19-18-6-3-1-5(2-4-6)12(21,22)23/h1-4H,(H2,21,22,23)(H4,13,14,15,16,17,20)/b19-18+
InChIKeyNGFQAWGVOGIYHO-VHEBQXMUSA-N
MW379.17 g/mol
LogP-0.80
Rot. Bonds3

About [4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid

[4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid (PubChem CID 135470148) has the molecular formula C11H10AsN7O4 and a molecular weight of 379.17 g/mol. Its IUPAC name is [4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid.

Molecular Properties

Compound Name[4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid
PubChem CID135470148
Molecular FormulaC11H10AsN7O4
Molecular Weight379.17 g/mol
Exact Mass379.00
IUPAC Name[4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid
SMILESNc1nc2nc(/N=N/c3ccc([As](=O)(O)O)cc3)[nH]c2c(=O)[nH]1
InChIInChI=1S/C11H10AsN7O4/c13-10-15-8-7(9(20)17-10)14-11(16-8)19-18-6-3-1-5(2-4-6)12(21,22)23/h1-4H,(H2,21,22,23)(H4,13,14,15,16,17,20)/b19-18+
InChIKeyNGFQAWGVOGIYHO-VHEBQXMUSA-N
XLogP-0.80
TPSA182.70 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 55
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-amino-8-azido-1,7-dihydropurin-6-one
CID 135406871
2-amino-8-[(E)-bis(2-chloroethyl)aminodiazenyl]-1,7-dihydropurin-6-one
CID 135580215
4-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzoate
CID 2068575
4-[(2-amino-6-sulfanylidene-3,7-dihydropurin-8-yl)diazenyl]benzenesulfonic acid
CID 5148393
[4-[(2-amino-7H-purin-6-yl)sulfanyldiazenyl]phenyl]arsonic acid
CID 3302537
4-[(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonic acid
CID 135508279
2-amino-8-(2,5-dihydroxyphenyl)-1,7-dihydropurin-6-one
CID 136903813
2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
CID 136934360
2-amino-8-(3-bromo-2-fluorophenyl)-1,7-dihydropurin-6-one
CID 136790568
2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one
CID 135712962
2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one
CID 136751601
2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one
CID 135540455

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid?
The IUPAC name of [4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid (CID 135470148) is [4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid.
What is the SMILES notation for [4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid?
The canonical SMILES for [4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid is Nc1nc2nc(/N=N/c3ccc([As](=O)(O)O)cc3)[nH]c2c(=O)[nH]1.
What is the InChIKey of [4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid?
The InChIKey is NGFQAWGVOGIYHO-VHEBQXMUSA-N. The full InChI is InChI=1S/C11H10AsN7O4/c13-10-15-8-7(9(20)17-10)14-11(16-8)19-18-6-3-1-5(2-4-6)12(21,22)23/h1-4H,(H2,21,22,23)(H4,13,14,15,16,17,20)/b19-18+.
What are the key properties of [4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid?
[4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid has a molecular weight of 379.17 g/mol, XLogP of -0.80, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid is sourced from PubChem (CID 135470148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).