2H-3,4'-bi-1,2,4-triazole
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Basic information
- CAS
68984-29-2- Standard SMILES
c1n[nH]c(-n2cnnc2)n1- InChIKey
LUSKRWPZZNTOPG-UHFFFAOYSA-N- Molecular formula
- C4H4N6
- Average molar mass
- 136.12 g/mol
- Monoisotopic mass
- 136.04974415
Names & identifiers
- Preferred name
- 2H-3,4'-bi-1,2,4-triazole
- IUPAC
- 4-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole
- English name
- 3,4'-Bi-4H-1,2,4-triazole
- Molecular formula
- C4H4N6
- Molecular weight
- 136.11
Names & synonyms
2H-3,4'-bi-1,2,4-triazole68984-29-24-(1H-1,2,4-triazol-5-yl)-1,2,4-triazoleMFCD033068752H-3,4'-bi(1,2,4-triazole)DTXSID103612901H-3,4'-bi(1,2,4-triazole)5-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole1H-1,2,4-triazole, 5-(4H-1,2,4-triazol-4-yl)-SCHEMBL10783164SCHEMBL19085030ALBB-017805
Show more names
3,4'-Bi-4H-1,2,4-triazole4-[3-(1,2,4-triazolyl)-1,2,4-triazole
STL3365271,3'-bis[1H-1,2,4-triazole]AKOS006352525AKOS015959975LS-05896CS-0358175H324113-(1,2,4-triazole-4-yl)-1h-1,2,4-triazole
Database identifiers
- CAS
68984-29-2- PubChem CID
- 1240137
- DTXSID
DTXSID10361290- Nikkaji
- J789.259D
Properties
Computed structural propertiesFilling in
- XLogP
- -0.5
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 300 · 300-302 °C (decomp)
- Boiling point
- 444.8 · 444.8±28.0 °C(Predicted)
- Density
- 1.83 · 1.83±0.1 g/cm3(Predicted)
- pka
- 8.21 · 8.21±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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