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

C9H12N3O3Zn+3 — CID 3253666

IUPACzinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide
SMILES[H]/[O+]=C(\N)[N-]N=Cc1cccc(OC)c1[OH2+].[Zn+2]
InChIInChI=1S/C9H11N3O3.Zn/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
InChIKeyITXHNLFLVWGCBB-UHFFFAOYSA-O
MW275.60 g/mol
LogP0.26
Rot. Bonds3

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

zinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide (PubChem CID 3253666) has the molecular formula C9H12N3O3Zn+3 and a molecular weight of 275.60 g/mol. Its IUPAC name is zinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide.

Molecular Properties

Compound Namezinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide
PubChem CID3253666
Molecular FormulaC9H12N3O3Zn+3
Molecular Weight275.60 g/mol
Exact Mass274.02
IUPAC Namezinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide
SMILES[H]/[O+]=C(\N)[N-]N=Cc1cccc(OC)c1[OH2+].[Zn+2]
InChIInChI=1S/C9H11N3O3.Zn/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
InChIKeyITXHNLFLVWGCBB-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 ≤ 500275.60
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide
CID 3837398
[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
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163

Frequently Asked Questions

What is the IUPAC name of zinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide?
The IUPAC name of zinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide (CID 3253666) is zinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide.
What is the SMILES notation for zinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide?
The canonical SMILES for zinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide is [H]/[O+]=C(\N)[N-]N=Cc1cccc(OC)c1[OH2+].[Zn+2].
What is the InChIKey of zinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide?
The InChIKey is ITXHNLFLVWGCBB-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11N3O3.Zn/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 zinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide?
zinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide has a molecular weight of 275.60 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 zinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide is sourced from PubChem (CID 3253666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).