Metabolite BMT-158170
- Name
- BMT-158170
- Description
- Not Available
- Structure
Structure for BMT-158170
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 357.392
Monoisotopic: 357.174102089 - Chemical Formula
- C16H18N8O2
- InChI Key
- AZQJPSPDGNBGRU-FIBGUPNXSA-N
- InChI
- InChI=1S/C16H18N8O2/c1-18-16(25)13-11(7-12(17)21-22-13)20-10-6-4-5-9(14(10)26-3)15-19-8-24(2)23-15/h4-8H,1-3H3,(H,18,25)(H3,17,20,21)/i1D3
- IUPAC Name
- 6-amino-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-(2H3)methylpyridazine-3-carboxamide
- SMILES
- [2H]C([2H])([2H])NC(=O)C1=C(NC2=CC=CC(C3=NN(C)C=N3)=C2OC)C=C(N)N=N1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.447 mg/mL ALOGPS logP 0.4 ALOGPS logP 1.28 Chemaxon logS -2.9 ALOGPS pKa (Strongest Acidic) 14.39 Chemaxon pKa (Strongest Basic) 5.42 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 132.87 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 120.82 m3·mol-1 Chemaxon Polarizability 36.62 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon