(Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium

C5H4N6O2 — CID 135562679

IUPAC(Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium
SMILES[O-]/[N+](=N\O)c1ncnc2nc[nH]c12
InChIInChI=1S/C5H4N6O2/c12-10-11(13)5-3-4(7-1-6-3)8-2-9-5/h1-2,12H,(H,6,7,8,9)/b11-10-
InChIKeySXDCFQXSJSHZEK-KHPPLWFESA-N
MW180.13 g/mol
LogP0.34
Rot. Bonds1

About (Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium

(Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium (PubChem CID 135562679) has the molecular formula C5H4N6O2 and a molecular weight of 180.13 g/mol. Its IUPAC name is (Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium.

Molecular Properties

Compound Name(Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium
PubChem CID135562679
Molecular FormulaC5H4N6O2
Molecular Weight180.13 g/mol
Exact Mass180.04
IUPAC Name(Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium
SMILES[O-]/[N+](=N\O)c1ncnc2nc[nH]c12
InChIInChI=1S/C5H4N6O2/c12-10-11(13)5-3-4(7-1-6-3)8-2-9-5/h1-2,12H,(H,6,7,8,9)/b11-10-
InChIKeySXDCFQXSJSHZEK-KHPPLWFESA-N
XLogP0.34
TPSA113.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.34
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(7H-purin-6-yl)hydroxylamine
CID 21876
(NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine
CID 137012777
7H-purin-6-ylmethanesulfinic acid
CID 174680184
6-chloro-7H-purine
CID 53349102
6-chloro-7H-purine
CID 5359277
(7H-purin-6-ylamino)methanol
CID 86209273
methanol;7H-purin-6-amine
CID 67194832
7H-purin-6-amine;hydrochloride
CID 169432832
CID 67796265
CID 67796265
7H-purin-6-ylmethanesulfinate
CID 174680183
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
2-(7H-purin-6-yl)ethanol
CID 53402024

Frequently Asked Questions

What is the IUPAC name of (Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium?
The IUPAC name of (Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium (CID 135562679) is (Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium.
What is the SMILES notation for (Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium?
The canonical SMILES for (Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium is [O-]/[N+](=N\O)c1ncnc2nc[nH]c12.
What is the InChIKey of (Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium?
The InChIKey is SXDCFQXSJSHZEK-KHPPLWFESA-N. The full InChI is InChI=1S/C5H4N6O2/c12-10-11(13)5-3-4(7-1-6-3)8-2-9-5/h1-2,12H,(H,6,7,8,9)/b11-10-.
What are the key properties of (Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium?
(Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium has a molecular weight of 180.13 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium is sourced from PubChem (CID 135562679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).