[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 3,7-dimethyl-
Basic information
- CAS
57250-40-5- Standard SMILES
Cc1nc2nnc(C)c(=O)n2[nH]1- InChIKey
SGVJENVPQDOZSR-UHFFFAOYSA-N- Molecular formula
- C6H7N5O
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.06505986
Names & identifiers
- Preferred name
- [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 3,7-dimethyl-
- IUPAC
- 3,7-dimethyl-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
Names & synonyms
57250-40-53,7-Dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 3,7-dimethyl-SCHEMBL127789182,6-Dimethyl-7-oxo-4,7-dihydro-triazolo(3,2-c)triazineDTXSID40344399SGVJENVPQDOZSR-UHFFFAOYSA-NAKOS0026824683,7-Dimethyl[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(6H)-one3,7-dimethyl[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(8H)-one3,7-Dimethyl[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one #
Database identifiers
- CAS
57250-40-5- PubChem CID
- 596591
- DTXSID
DTXSID40344399
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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