2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid

C10H4N8O4 — CID 152754128

IUPAC2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid
SMILESN#Cc1nc(N=Nc2nc(C(=O)O)c(C(=O)O)[nH]2)[nH]c1C#N
InChIInChI=1S/C10H4N8O4/c11-1-3-4(2-12)14-9(13-3)17-18-10-15-5(7(19)20)6(16-10)8(21)22/h(H,13,14)(H,15,16)(H,19,20)(H,21,22)
InChIKeyABTZVMJESDWVRU-UHFFFAOYSA-N
MW300.19 g/mol
LogP0.69
Rot. Bonds4

About 2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid

2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid (PubChem CID 152754128) has the molecular formula C10H4N8O4 and a molecular weight of 300.19 g/mol. Its IUPAC name is 2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid
PubChem CID152754128
Molecular FormulaC10H4N8O4
Molecular Weight300.19 g/mol
Exact Mass300.04
IUPAC Name2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid
SMILESN#Cc1nc(N=Nc2nc(C(=O)O)c(C(=O)O)[nH]2)[nH]c1C#N
InChIInChI=1S/C10H4N8O4/c11-1-3-4(2-12)14-9(13-3)17-18-10-15-5(7(19)20)6(16-10)8(21)22/h(H,13,14)(H,15,16)(H,19,20)(H,21,22)
InChIKeyABTZVMJESDWVRU-UHFFFAOYSA-N
XLogP0.69
TPSA204.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid?
The IUPAC name of 2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid (CID 152754128) is 2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid.
What is the SMILES notation for 2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid?
The canonical SMILES for 2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid is N#Cc1nc(N=Nc2nc(C(=O)O)c(C(=O)O)[nH]2)[nH]c1C#N.
What is the InChIKey of 2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid?
The InChIKey is ABTZVMJESDWVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N8O4/c11-1-3-4(2-12)14-9(13-3)17-18-10-15-5(7(19)20)6(16-10)8(21)22/h(H,13,14)(H,15,16)(H,19,20)(H,21,22).
What are the key properties of 2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid?
2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid has a molecular weight of 300.19 g/mol, XLogP of 0.69, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid is sourced from PubChem (CID 152754128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).