Basic information
- CAS
81450-48-8- Standard SMILES
Cc1nnc2c3nccnc3c(N)nn12- InChIKey
ZGKWDSOUXAFBQV-UHFFFAOYSA-N- Molecular formula
- C8H7N7
- Average molar mass
- 201.19 g/mol
- Monoisotopic mass
- 201.07629325
Names & identifiers
- Preferred name
- 3-Methylpyrazino(2,3-d)(1,2,4)triazolo(4,3-b)pyridazin-6(5H)-imine
- IUPAC
- 5-methyl-3,4,6,7,10,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaen-8-amine
Names & synonyms
81450-48-8Q0MW41D5GBUNII-Q0MW41D5GB3-Methylpyrazino(2,3-d)(1,2,4)triazolo(4,3-b)pyridazin-6(5H)-imineNSC 366751NSC-366751DTXSID002311153-METHYLPYRAZINO(2,3-D)-1,2,4-TRIAZOLO(4,3-B)PYRIDAZIN-6-AMINE3-Methylpyrazino[2,3-d][1,2,4]triazolo[4,3-b]pyridazin-6(5H)-iminePYRAZINO(2,3-D)-1,2,4-TRIAZOLO(4,3-B)PYRIDAZIN-6-AMINE, 3-METHYL-RefChem:94956DTXCID00153606
Show more names
NSC366751CHEMBL23968543-methyl-5H-[1,2,4]triazolo[[?]]pyrazino[[?]]pyridazin-6-imine3-Methylpyrazino[2,3-d][1,2,4]triazolo[4,3-b]pyridazin-6-amine
Database identifiers
- CAS
81450-48-8- PubChem CID
- 339565
- DTXSID
DTXSID00231115- ChEMBL
CHEMBL2396854- UNII
- Q0MW41D5GB
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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