cobalt;2-methyl-1H-imidazol-1-ium;nitrate

C4H7CoN3O3 — CID 175115451

IUPACcobalt;2-methyl-1H-imidazol-1-ium;nitrate
SMILESCC1=NC=C[NH2+]1.O=[N+]([O-])[O-].[Co]
InChIInChI=1S/C4H6N2.Co.NO3/c1-4-5-2-3-6-4;;2-1(3)4/h2-3H,1H3,(H,5,6);;/q;;-1/p+1
InChIKeyNIHJLPCIPLORAB-UHFFFAOYSA-O
MW204.05 g/mol
LogP-0.79
Rot. Bonds

About cobalt;2-methyl-1H-imidazol-1-ium;nitrate

cobalt;2-methyl-1H-imidazol-1-ium;nitrate (PubChem CID 175115451) has the molecular formula C4H7CoN3O3 and a molecular weight of 204.05 g/mol. Its IUPAC name is cobalt;2-methyl-1H-imidazol-1-ium;nitrate.

Molecular Properties

Compound Namecobalt;2-methyl-1H-imidazol-1-ium;nitrate
PubChem CID175115451
Molecular FormulaC4H7CoN3O3
Molecular Weight204.05 g/mol
Exact Mass203.98
IUPAC Namecobalt;2-methyl-1H-imidazol-1-ium;nitrate
SMILESCC1=NC=C[NH2+]1.O=[N+]([O-])[O-].[Co]
InChIInChI=1S/C4H6N2.Co.NO3/c1-4-5-2-3-6-4;;2-1(3)4/h2-3H,1H3,(H,5,6);;/q;;-1/p+1
InChIKeyNIHJLPCIPLORAB-UHFFFAOYSA-O
XLogP-0.79
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.05
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cobalt;2-methyl-1H-imidazol-1-ium;nitrate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cobalt;2-methyl-1H-imidazol-1-ium;nitrate?
The IUPAC name of cobalt;2-methyl-1H-imidazol-1-ium;nitrate (CID 175115451) is cobalt;2-methyl-1H-imidazol-1-ium;nitrate.
What is the SMILES notation for cobalt;2-methyl-1H-imidazol-1-ium;nitrate?
The canonical SMILES for cobalt;2-methyl-1H-imidazol-1-ium;nitrate is CC1=NC=C[NH2+]1.O=[N+]([O-])[O-].[Co].
What is the InChIKey of cobalt;2-methyl-1H-imidazol-1-ium;nitrate?
The InChIKey is NIHJLPCIPLORAB-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N2.Co.NO3/c1-4-5-2-3-6-4;;2-1(3)4/h2-3H,1H3,(H,5,6);;/q;;-1/p+1.
What are the key properties of cobalt;2-methyl-1H-imidazol-1-ium;nitrate?
cobalt;2-methyl-1H-imidazol-1-ium;nitrate has a molecular weight of 204.05 g/mol, XLogP of -0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-methyl-1H-imidazol-1-ium;nitrate is sourced from PubChem (CID 175115451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).