Basic information
- CAS
649736-27-6- Standard SMILES
Cc1c(OCc2ccccc2)cn2ncnc(Cl)c12- InChIKey
JNAABNDXDSYVGA-UHFFFAOYSA-N- Molecular formula
- C14H12ClN3O
- Average molar mass
- 273.72 g/mol
- Monoisotopic mass
- 273.06688968
Names & identifiers
- Preferred name
- 6-Benzyloxy-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine
- IUPAC
- 4-chloro-5-methyl-6-phenylmethoxypyrrolo[2,1-f][1,2,4]triazine
- English name
- 6-Benzyloxy-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine
- Molecular formula
- C14H12ClN3O
- Molecular weight
- 273.72
Names & synonyms
649736-27-66-Benzyloxy-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine6-(benzyloxy)-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine4-chloro-5-methyl-6-phenylmethoxypyrrolo[2,1-f][1,2,4]triazineSCHEMBL1226964DTXSID40469839JNAABNDXDSYVGA-UHFFFAOYSA-NAKOS015949417PB17892DB-219662CS-0055249P11264
Show more names
Pyrrolo[2,1-f][1,2,4]triazine, 4-chloro-5-methyl-6-(phenylmethoxy)-
6-benzyloxy-4-chloro-5-methyl-pyrrolo[2,1-f][1,2,4]triazine
Database identifiers
- CAS
649736-27-6- PubChem CID
- 11637630
- DTXSID
DTXSID40469839
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- -2.87 · -2.87±0.30(Predicted)
Chemistry & industry
Suppliers4 total
斯派螺（武汉）药物研发有限公司[email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
Related reactions
4 records
Compound notes
Loading…