cobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate

C24H18CoN12O6 — CID 139168643

IUPACcobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+2].c1ccc(-c2cn(-c3ccccn3)nn2)nc1.c1ccc(-c2cn(-c3ccccn3)nn2)nc1
InChIInChI=1S/2C12H9N5.Co.2NO3/c2*1-3-7-13-10(5-1)11-9-17(16-15-11)12-6-2-4-8-14-12;;2*2-1(3)4/h2*1-9H;;;/q;;+2;2*-1
InChIKeyCWFDYFCGVUJEKM-UHFFFAOYSA-N
MW629.42 g/mol
LogP2.97
Rot. Bonds4

About cobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate

cobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate (PubChem CID 139168643) has the molecular formula C24H18CoN12O6 and a molecular weight of 629.42 g/mol. Its IUPAC name is cobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate.

Molecular Properties

Compound Namecobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate
PubChem CID139168643
Molecular FormulaC24H18CoN12O6
Molecular Weight629.42 g/mol
Exact Mass629.08
IUPAC Namecobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+2].c1ccc(-c2cn(-c3ccccn3)nn2)nc1.c1ccc(-c2cn(-c3ccccn3)nn2)nc1
InChIInChI=1S/2C12H9N5.Co.2NO3/c2*1-3-7-13-10(5-1)11-9-17(16-15-11)12-6-2-4-8-14-12;;2*2-1(3)4/h2*1-9H;;;/q;;+2;2*-1
InChIKeyCWFDYFCGVUJEKM-UHFFFAOYSA-N
XLogP2.97
TPSA245.38 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze cobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate 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

Platinum(2+);bis(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridine)
CID 155809276
Platinum(II) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine]
CID 142576013
Copper;bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);bis(trifluoromethanesulfonate)
CID 139200432
2-Imidazol-3-id-2-yl-6-pyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
CID 66575096
2,6-Dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate
CID 139036881
bis[2-(5-(pyridin-3-yl)-1,2,4-triazol-3-yl)pyrazine]copper(II)
CID 139083719
(Ethylenediamine-kappa^2^N,N)bis[2-(pyridin-2-yl-kappaN)-1,3-imidazol-1-ido-kappaN^1^]cobalt(III) nitrate monohydrate
CID 139084452
Cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate
CID 139125085
Disilver;bis(3,5-dipyridin-2-yl-1,2,4-triazol-4-amine);dinitrate
CID 139136152
Copper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate
CID 139137070
Copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate
CID 139137071
Bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate
CID 139138968

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate?
The IUPAC name of cobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate (CID 139168643) is cobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate.
What is the SMILES notation for cobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate?
The canonical SMILES for cobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+2].c1ccc(-c2cn(-c3ccccn3)nn2)nc1.c1ccc(-c2cn(-c3ccccn3)nn2)nc1.
What is the InChIKey of cobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate?
The InChIKey is CWFDYFCGVUJEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H9N5.Co.2NO3/c2*1-3-7-13-10(5-1)11-9-17(16-15-11)12-6-2-4-8-14-12;;2*2-1(3)4/h2*1-9H;;;/q;;+2;2*-1.
What are the key properties of cobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate?
cobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate has a molecular weight of 629.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);dinitrate is sourced from PubChem (CID 139168643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).