copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide

C9H12CuN3O3+3 — CID 3837398

IUPACcopper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide
SMILES[Cu+2].[H]/[O+]=C(\N)[N-]N=Cc1cccc(OC)c1[OH2+]
InChIInChI=1S/C9H11N3O3.Cu/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14;/h2-5H,1H3,(H4,10,11,12,13,14);/q;+2/p+1
InChIKeyIBSFCFXCFIJERA-UHFFFAOYSA-O
MW273.76 g/mol
LogP0.26
Rot. Bonds3

About copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide

copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide (PubChem CID 3837398) has the molecular formula C9H12CuN3O3+3 and a molecular weight of 273.76 g/mol. Its IUPAC name is copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide.

Molecular Properties

Compound Namecopper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide
PubChem CID3837398
Molecular FormulaC9H12CuN3O3+3
Molecular Weight273.76 g/mol
Exact Mass273.02
IUPAC Namecopper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide
SMILES[Cu+2].[H]/[O+]=C(\N)[N-]N=Cc1cccc(OC)c1[OH2+]
InChIInChI=1S/C9H11N3O3.Cu/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14;/h2-5H,1H3,(H4,10,11,12,13,14);/q;+2/p+1
InChIKeyIBSFCFXCFIJERA-UHFFFAOYSA-O
XLogP0.26
TPSA106.01 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

zinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide
CID 3253666
[amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;nickel(2+);1,10-phenanthroline;hydroxide
CID 3482345
[anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+)
CID 135538790
[2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+)
CID 50910386
[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide
CID 50911188
copper;2-[[2-[(3-methoxy-2-oxoniophenyl)methylidene]hydrazinyl]-oxoniumylidenemethyl]phenolate;hydroxide
CID 3876946
copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine
CID 50910692
(2-methoxy-6-oxoniophenyl)oxidanium
CID 3776334
(E)-(2-hydroxy-3-methoxyphenyl)methylideneurea
CID 137275710
manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium
CID 50910170
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
copper bis([(3-methoxy-2-oxonio-5-phenyldiazenylphenyl)methylideneamino]-[(3-methylanilino)-sulfoniumylidenemethyl]azanide)
CID 135479008

Frequently Asked Questions

What is the IUPAC name of copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide?
The IUPAC name of copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide (CID 3837398) is copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide.
What is the SMILES notation for copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide?
The canonical SMILES for copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide is [Cu+2].[H]/[O+]=C(\N)[N-]N=Cc1cccc(OC)c1[OH2+].
What is the InChIKey of copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide?
The InChIKey is IBSFCFXCFIJERA-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11N3O3.Cu/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14;/h2-5H,1H3,(H4,10,11,12,13,14);/q;+2/p+1.
What are the key properties of copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide?
copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide has a molecular weight of 273.76 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide is sourced from PubChem (CID 3837398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).