Basic information
- CAS
62040-00-0- Standard SMILES
CNc1ccc2n[nH]c(=O)n2n1- InChIKey
BYPWIYBTYDHGCU-UHFFFAOYSA-N- Molecular formula
- C6H7N5O
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.06505984
Names & identifiers
- Preferred name
- 6-(Methylamino)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
- IUPAC
- 6-(methylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Names & synonyms
62040-00-0SCHEMBL11849482DTXSID70614875BYPWIYBTYDHGCU-UHFFFAOYSA-N6-(Methylamino)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-oneAKOS0147777296-Methylamino-1,2,4-triazolo[4,3-b]pyridazin-3(2H)-one
Database identifiers
- CAS
62040-00-0- PubChem CID
- 21494310
- DTXSID
DTXSID70614875
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 316
Related reactions
2 records
Compound notes
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