O-(2-aminooxy-7H-purin-6-yl)hydroxylamine

C5H6N6O2 — CID 141030940

IUPACO-(2-aminooxy-7H-purin-6-yl)hydroxylamine
SMILESNOc1nc(ON)c2[nH]cnc2n1
InChIInChI=1S/C5H6N6O2/c6-12-4-2-3(9-1-8-2)10-5(11-4)13-7/h1H,6-7H2,(H,8,9,10,11)
InChIKeyOJCHOVOWDPSPIK-UHFFFAOYSA-N
MW182.14 g/mol
LogP-1.14
Rot. Bonds2

About O-(2-aminooxy-7H-purin-6-yl)hydroxylamine

O-(2-aminooxy-7H-purin-6-yl)hydroxylamine (PubChem CID 141030940) has the molecular formula C5H6N6O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is O-(2-aminooxy-7H-purin-6-yl)hydroxylamine.

Molecular Properties

Compound NameO-(2-aminooxy-7H-purin-6-yl)hydroxylamine
PubChem CID141030940
Molecular FormulaC5H6N6O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC NameO-(2-aminooxy-7H-purin-6-yl)hydroxylamine
SMILESNOc1nc(ON)c2[nH]cnc2n1
InChIInChI=1S/C5H6N6O2/c6-12-4-2-3(9-1-8-2)10-5(11-4)13-7/h1H,6-7H2,(H,8,9,10,11)
InChIKeyOJCHOVOWDPSPIK-UHFFFAOYSA-N
XLogP-1.14
TPSA124.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
6-bromo-2-methoxy-7H-purine
CID 82391133
2-ethoxy-6-methyl-7H-purine
CID 119081784
6-(2,2-difluoroethoxy)-7H-purin-2-amine
CID 114787974
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
6-methoxy-2-methylsulfanyl-7H-purine
CID 119082313
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol
CID 114216836
magnesium;2-amino-1,7-dihydropurin-6-one;dichloride
CID 174866452
(2-amino-7H-purin-6-yl)methanol
CID 11593490
2-amino-1,7-dihydropurin-6-one;copper;dihydrate
CID 139263394
bis(2-amino-1,7-dihydropurin-6-one);trihydrate;dihydroiodide
CID 135724792

Frequently Asked Questions

What is the IUPAC name of O-(2-aminooxy-7H-purin-6-yl)hydroxylamine?
The IUPAC name of O-(2-aminooxy-7H-purin-6-yl)hydroxylamine (CID 141030940) is O-(2-aminooxy-7H-purin-6-yl)hydroxylamine.
What is the SMILES notation for O-(2-aminooxy-7H-purin-6-yl)hydroxylamine?
The canonical SMILES for O-(2-aminooxy-7H-purin-6-yl)hydroxylamine is NOc1nc(ON)c2[nH]cnc2n1.
What is the InChIKey of O-(2-aminooxy-7H-purin-6-yl)hydroxylamine?
The InChIKey is OJCHOVOWDPSPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O2/c6-12-4-2-3(9-1-8-2)10-5(11-4)13-7/h1H,6-7H2,(H,8,9,10,11).
What are the key properties of O-(2-aminooxy-7H-purin-6-yl)hydroxylamine?
O-(2-aminooxy-7H-purin-6-yl)hydroxylamine has a molecular weight of 182.14 g/mol, XLogP of -1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-aminooxy-7H-purin-6-yl)hydroxylamine is sourced from PubChem (CID 141030940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).