2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile

C16H10N10 — CID 136648837

IUPAC2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(N=NC(N=Nc2ccccn2)c2cccnc2)[nH]c1C#N
InChIInChI=1S/C16H10N10/c17-8-12-13(9-18)22-16(21-12)26-25-15(11-4-3-6-19-10-11)24-23-14-5-1-2-7-20-14/h1-7,10,15H,(H,21,22)
InChIKeyMLBVWIBAFYWSQQ-UHFFFAOYSA-N
MW342.33 g/mol
LogP3.51
Rot. Bonds5

About 2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile

2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile (PubChem CID 136648837) has the molecular formula C16H10N10 and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile
PubChem CID136648837
Molecular FormulaC16H10N10
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(N=NC(N=Nc2ccccn2)c2cccnc2)[nH]c1C#N
InChIInChI=1S/C16H10N10/c17-8-12-13(9-18)22-16(21-12)26-25-15(11-4-3-6-19-10-11)24-23-14-5-1-2-7-20-14/h1-7,10,15H,(H,21,22)
InChIKeyMLBVWIBAFYWSQQ-UHFFFAOYSA-N
XLogP3.51
TPSA151.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene
CID 90967094
(5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene
CID 90968178
2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile
CID 135840335
2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile
CID 136623282
propan-2-yl(pyridin-2-yl)diazene
CID 123501557
2-(1,10-phenanthrolin-2-yl)-1H-imidazole-4,5-dicarbonitrile
CID 70653417
3-phenyl-3-pyridin-3-ylpropanenitrile
CID 12632111
2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid
CID 152754128
(2S,3R)-3-methyl-4-phenyl-2-pyridin-3-ylbutanenitrile
CID 129364165
(1R)-2-pyridin-2-yl-1-pyridin-3-ylethanamine
CID 93256959
4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile
CID 14231171
(S)-pyridin-2-yl(pyridin-3-yl)methanamine
CID 86315357

Frequently Asked Questions

What is the IUPAC name of 2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile (CID 136648837) is 2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile is N#Cc1nc(N=NC(N=Nc2ccccn2)c2cccnc2)[nH]c1C#N.
What is the InChIKey of 2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile?
The InChIKey is MLBVWIBAFYWSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N10/c17-8-12-13(9-18)22-16(21-12)26-25-15(11-4-3-6-19-10-11)24-23-14-5-1-2-7-20-14/h1-7,10,15H,(H,21,22).
What are the key properties of 2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile?
2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile has a molecular weight of 342.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 136648837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).