copper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid

C6H18CuN10O4S — CID 138396656

IUPACcopper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid
SMILESO=S(=O)(O)O.[Cu+2].[H]/N=C(/N=C(N)N)[N-]C.[H]/N=C(\N=C(N)N)[N-]C
InChIInChI=1S/2C3H8N5.Cu.H2O4S/c2*1-7-3(6)8-2(4)5;;1-5(2,3)4/h2*1H3,(H5-,4,5,6,7,8);;(H2,1,2,3,4)/q2*-1;+2;
InChIKeyMQEHRQNGWONACU-UHFFFAOYSA-N
MW389.89 g/mol
LogP-2.26
Rot. Bonds

About copper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid

copper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid (PubChem CID 138396656) has the molecular formula C6H18CuN10O4S and a molecular weight of 389.89 g/mol. Its IUPAC name is copper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid.

Molecular Properties

Compound Namecopper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid
PubChem CID138396656
Molecular FormulaC6H18CuN10O4S
Molecular Weight389.89 g/mol
Exact Mass389.05
IUPAC Namecopper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid
SMILESO=S(=O)(O)O.[Cu+2].[H]/N=C(/N=C(N)N)[N-]C.[H]/N=C(\N=C(N)N)[N-]C
InChIInChI=1S/2C3H8N5.Cu.H2O4S/c2*1-7-3(6)8-2(4)5;;1-5(2,3)4/h2*1H3,(H5-,4,5,6,7,8);;(H2,1,2,3,4)/q2*-1;+2;
InChIKeyMQEHRQNGWONACU-UHFFFAOYSA-N
XLogP-2.26
TPSA279.30 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 5-2.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-[(3-amino-3-imino-2-methylpropyl)diazenyl]-2-methylpropanimidamide;sulfuric acid
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CID 86583226
guanidine;sulfuric acid
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1-[carbamimidoyl-(diaminomethylideneamino)sulfamoyl]-1-(diaminomethylideneamino)guanidine
CID 154405062
2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide
CID 176524428
2-amino-N-(diaminomethylidene)propanimidamide
CID 176533590
2-hydroxyguanidine;sulfuric acid;hydrate
CID 86674791
(barium(2+));sulfuric acid
CID 173434226
bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid
CID 176522883
acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
CID 24961549
1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid
CID 54605636
3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid
CID 46892505

Frequently Asked Questions

What is the IUPAC name of copper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid?
The IUPAC name of copper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid (CID 138396656) is copper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid.
What is the SMILES notation for copper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid?
The canonical SMILES for copper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid is O=S(=O)(O)O.[Cu+2].[H]/N=C(/N=C(N)N)[N-]C.[H]/N=C(\N=C(N)N)[N-]C.
What is the InChIKey of copper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid?
The InChIKey is MQEHRQNGWONACU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8N5.Cu.H2O4S/c2*1-7-3(6)8-2(4)5;;1-5(2,3)4/h2*1H3,(H5-,4,5,6,7,8);;(H2,1,2,3,4)/q2*-1;+2;.
What are the key properties of copper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid?
copper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid has a molecular weight of 389.89 g/mol, XLogP of -2.26, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid is sourced from PubChem (CID 138396656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).