cobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate

C36H26CoN15O — CID 139036999

IUPACcobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate
SMILESO.[Co+3].c1ccc(-c2n[n-]c(-c3cccnc3)n2)nc1.c1ccc(-c2n[n-]c(-c3cccnc3)n2)nc1.c1ccc(-c2nc(-c3cccnc3)n[n-]2)nc1
InChIInChI=1S/3C12H8N5.Co.H2O/c3*1-2-7-14-10(5-1)12-15-11(16-17-12)9-4-3-6-13-8-9;;/h3*1-8H;;1H2/q3*-1;+3;
InChIKeyHHTXZAGRPSNBJL-UHFFFAOYSA-N
MW743.64 g/mol
LogP3.85
Rot. Bonds6

About cobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate

cobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate (PubChem CID 139036999) has the molecular formula C36H26CoN15O and a molecular weight of 743.64 g/mol. Its IUPAC name is cobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate.

Molecular Properties

Compound Namecobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate
PubChem CID139036999
Molecular FormulaC36H26CoN15O
Molecular Weight743.64 g/mol
Exact Mass743.18
IUPAC Namecobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate
SMILESO.[Co+3].c1ccc(-c2n[n-]c(-c3cccnc3)n2)nc1.c1ccc(-c2n[n-]c(-c3cccnc3)n2)nc1.c1ccc(-c2nc(-c3cccnc3)n[n-]2)nc1
InChIInChI=1S/3C12H8N5.Co.H2O/c3*1-2-7-14-10(5-1)12-15-11(16-17-12)9-4-3-6-13-8-9;;/h3*1-8H;;1H2/q3*-1;+3;
InChIKeyHHTXZAGRPSNBJL-UHFFFAOYSA-N
XLogP3.85
TPSA228.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.64
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze cobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate 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
Bis(2-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine);bis(2-[4-[4-(1,1,2,2,3,3-hexafluoropropyl)phenyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine);bis(iron(3+));tetraisothiocyanate
CID 139142845
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58567832
2-[5-(2,4-Difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2,4-difluorobenzene-6-id-1-yl]pyridine;iridium(3+);2-[5-[4-(trifluoromethyl)phenyl]-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58650641
2-[Bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+))
CID 58756128
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-(5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)-2-(trifluoromethyl)pyridine
CID 58771571
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);5-(5-pyridin-2-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)-2-(trifluoromethyl)pyridine
CID 58771573
1,3-Difluorobenzene-5-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+);pyridine;5-(5-pyridin-2-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)-2-(trifluoromethyl)pyridine
CID 58771579
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;iridium(3+);2-[5-[4-(trifluoromethyl)phenyl]-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58855105
3,5-Dimethyl-1-phenylpyrazole;3,5-dimethyl-2-phenylpyrazol-2-ium-1-ide;iridium;2-[5-[4-(trifluoromethyl)phenyl]-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58855106
Iridium;1-phenylpyrazole;2-phenylpyrazol-2-ium-1-ide;2-[5-[4-(trifluoromethyl)phenyl]-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58855107

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate?
The IUPAC name of cobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate (CID 139036999) is cobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate.
What is the SMILES notation for cobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate?
The canonical SMILES for cobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate is O.[Co+3].c1ccc(-c2n[n-]c(-c3cccnc3)n2)nc1.c1ccc(-c2n[n-]c(-c3cccnc3)n2)nc1.c1ccc(-c2nc(-c3cccnc3)n[n-]2)nc1.
What is the InChIKey of cobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate?
The InChIKey is HHTXZAGRPSNBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8N5.Co.H2O/c3*1-2-7-14-10(5-1)12-15-11(16-17-12)9-4-3-6-13-8-9;;/h3*1-8H;;1H2/q3*-1;+3;.
What are the key properties of cobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate?
cobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate has a molecular weight of 743.64 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);2-(5-pyridin-3-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;bis(2-(5-pyridin-3-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)pyridine);hydrate is sourced from PubChem (CID 139036999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).