2-Phenyl-3-(1H-1,2,4-triazol-5-ylazo)-1H-indole
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Basic information
- CAS
55425-38-2- Standard SMILES
c1ccc(-c2[nH]c3ccccc3c2N=Nc2ncn[nH]2)cc1- InChIKey
XSGLLCJEBDKHPO-UHFFFAOYSA-N- Molecular formula
- C16H12N6
- Average molar mass
- 288.31 g/mol
- Monoisotopic mass
- 288.11234441
Names & identifiers
- Preferred name
- 2-Phenyl-3-(1H-1,2,4-triazol-5-ylazo)-1H-indole
- IUPAC
- (2-phenyl-1H-indol-3-yl)-(1H-1,2,4-triazol-5-yl)diazene
- English name
- 2-phenyl-3-(1H-1,2,4-triazol-5-ylazo)-1H-indole
- Molecular formula
- C16H12N6
- Molecular weight
- 288.31
Names & synonyms
55425-38-22-Phenyl-3-(1H-1,2,4-triazol-5-ylazo)-1H-indole1H-Indole, 2-phenyl-3-(1H-1,2,4-triazol-3-ylazo)-1H-Indole, 2-phenyl-3-(2-(1H-1,2,4-triazol-5-yl)diazenyl)-EINECS 259-632-21H-Indole, 2-phenyl-3-[2-(1H-1,2,4-triazol-5-yl)diazenyl]-WY4CS8Q6RXDTXSID2069020XSGLLCJEBDKHPO-UHFFFAOYSA-NDB-314264NS000574232-Phenyl-3-[(1H-1,2,4-triazol-5-yl)diazenyl]-1H-indole
Show more names
1,2,4-Triazol-5-azo-3'-(2'-phenyl)indol3-(2-Phenyl-1H-indol-3-ylazo)-2H-1,2,4-triazole
2-Phenyl-3-[2-(1H-1,2,4-triazol-5-yl)diazenyl]-1H-indole
Database identifiers
- CAS
55425-38-2- PubChem CID
- 108709
- DTXSID
DTXSID2069020- UNII
- WY4CS8Q6RX
- EC Number
- 259-632-2
- Nikkaji
- J32.417E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- EPA Substance Registry System
- 1 H-Indole, · 1H-Indole, 2-phenyl-3-(1H-1,2,4-triazol-3-ylazo)- (55425-38-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indole, 2-phenyl-3-[2-(1H-1,2,4-triazol-5-yl)diazenyl]-: ACTIVE
Related reactions
0 records
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Compound notes
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