3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole
Basic information
- CAS
4314-05-0- Standard SMILES
Cn1nnn2c(-c3ccccc3)nnc12- InChIKey
YNNQOEDPWKJYME-UHFFFAOYSA-N- Molecular formula
- C9H8N6
- Average molar mass
- 200.2 g/mol
- Monoisotopic mass
- 200.08104428
Names & identifiers
- Preferred name
- 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole
- IUPAC
- 3-methyl-6-phenyl-[1,2,4]triazolo[3,4-e]tetrazole
Names & synonyms
4314-05-08V4I408SRK3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazoleUNII-8V4I408SRKNSC 169532NSC-169532DTXSID901957173-Methyl-6-phenyl-3H-[1,2,4]triazolo[4,3-d]tetraazole3H-S-TRIAZOLO(4,3-D)TETRAZOLE, 3-METHYL-6-PHENYL-3-METHYL-6-PHENYL-3H-(1,2,4)TRIAZOLO(4,3-D)TETRAZOLE3H-(1,2,4)TRIAZOLO(4,3-D)TETRAZOLE, 3-METHYL-6-PHENYL-3-methyl-6-phenyl-3H-[1,2,4]triazolo[4,3-d]tetrazole
Show more names
RefChem:94812DTXCID30118208NSC1695323-methyl-6-phenyl-[1,2,4]triazolo[3,4-e]tetrazole
Database identifiers
- CAS
4314-05-0- PubChem CID
- 297972
- DTXSID
DTXSID90195717- UNII
- 8V4I408SRK
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…