Basic information
- Standard SMILES
Cc1ccc2nnc(Sc3c[nH]c4ncc(-c5cnn(C)c5)cc34)n2n1- InChIKey
UKXFHTJLSSJFEE-UHFFFAOYSA-N- Molecular formula
- C17H14N8S
- Average molar mass
- 362.4 g/mol
Names & identifiers
- Preferred name
- 6-methyl-3-[5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-ylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
- IUPAC
- 6-methyl-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
Names & synonyms
SCHEMBL4494903UKXFHTJLSSJFEE-UHFFFAOYSA-N6-methyl-3-[5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-ylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
Database identifiers
- PubChem CID
- 24901116
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 509
Related reactions
2 records
Compound notes
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