(NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine

C6H5N5O — CID 137012777

IUPAC(NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine
SMILESO/N=C/c1ncnc2nc[nH]c12
InChIInChI=1S/C6H5N5O/c12-11-1-4-5-6(9-2-7-4)10-3-8-5/h1-3,12H,(H,7,8,9,10)/b11-1+
InChIKeyPIWKNEWSXZOCJN-QQDOKKFESA-N
MW163.14 g/mol
LogP0.16
Rot. Bonds1

About (NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine

(NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine (PubChem CID 137012777) has the molecular formula C6H5N5O and a molecular weight of 163.14 g/mol. Its IUPAC name is (NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine
PubChem CID137012777
Molecular FormulaC6H5N5O
Molecular Weight163.14 g/mol
Exact Mass163.05
IUPAC Name(NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine
SMILESO/N=C/c1ncnc2nc[nH]c12
InChIInChI=1S/C6H5N5O/c12-11-1-4-5-6(9-2-7-4)10-3-8-5/h1-3,12H,(H,7,8,9,10)/b11-1+
InChIKeyPIWKNEWSXZOCJN-QQDOKKFESA-N
XLogP0.16
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(7H-purin-6-ylmethylideneamino)thiourea
CID 5272201
6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine
CID 11579205
N-(7H-purin-6-yl)hydroxylamine
CID 21876
(Z)-hydroxyimino-oxido-(7H-purin-6-yl)azanium
CID 135562679
2-(7H-purin-6-yl)ethanol
CID 53402024
(2E,4E)-2-methyl-5-(7H-purin-6-yl)penta-2,4-dienoic acid
CID 100923821
(Z)-3-hydroxy-2-(7H-purin-6-yl)prop-2-enal
CID 137177105
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
S-[4-(7H-purin-6-yl)but-3-enyl] ethanethioate
CID 170480242

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine (CID 137012777) is (NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine is O/N=C/c1ncnc2nc[nH]c12.
What is the InChIKey of (NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine?
The InChIKey is PIWKNEWSXZOCJN-QQDOKKFESA-N. The full InChI is InChI=1S/C6H5N5O/c12-11-1-4-5-6(9-2-7-4)10-3-8-5/h1-3,12H,(H,7,8,9,10)/b11-1+.
What are the key properties of (NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine?
(NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine has a molecular weight of 163.14 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine is sourced from PubChem (CID 137012777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).