Azarole
Basic information
- CAS
55872-82-7- Standard SMILES
C1=CC(=Nn2cccc2)C=CC1=Nn1cccc1- InChIKey
VQKVZNAYFUDTTE-UHFFFAOYSA-N- Molecular formula
- C14H12N4
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.1061964
Overview
See also: Azarole (annotation moved to).
Names & identifiers
- Preferred name
- Azarole
- IUPAC
- 1-N,4-N-di(pyrrol-1-yl)cyclohexa-2,5-diene-1,4-diimine
- English name
- Azarole
- Molecular formula
- C14H12N4
- Molecular weight
- 236.27
Names & synonyms
AzaroleAzarole [USAN]55872-82-7Win 38770WIN-38770JAJ86U8L6JAzarole (USAN)1,1'-(2,5-Cyclohexadiene-1,4-diylidenedinitrilo)dipyrrole1H-Pyrrol-1-amine, N,N'-2,5-cyclohexadiene-1,4-diylidenebis-UNII-JAJ86U8L6JN1,N4-di(pyrrol-1-yl)cyclohexa-2,5-diene-1,4-diimineCHEMBL25024
Show more names
N,N'-(2,5-Cyclohexadiene-1,4-diylidene)bis(1H-pyrrol-1-amine)
CHEMBL25422SCHEMBL444880DTXSID20971268D03030Q27281404N~1~,N~4~-Di(1H-pyrrol-1-yl)cyclohexa-2,5-diene-1,4-diimine(1E,4E)-N~1~,N~4~-Di(1H-pyrrol-1-yl)cyclohexa-2,5-diene-1,4-diimineanti-N,N'-(2,5-Cyclohexadiene-1,4-diylidene)-bis-1H-pyrrol-1-amine
Database identifiers
- CAS
55872-82-7- PubChem CID
- 65454
- DTXSID
DTXSID20971268- ChEMBL
CHEMBL25024- UNII
- JAJ86U8L6J
- Nikkaji
- J11.054J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 34.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- FDA UNII
- 86 U8L6J · JAJ86U8L6J
Chemistry & industry
Applications
UsesImmunoregulator.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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