2-(7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-5-methoxyphenol
Basic information
- CAS
899384-44-2- Standard SMILES
COc1ccc(-c2nc3c4cnn(-c5ccc(C)c(Cl)c5)c4ncn3n2)c(O)c1- InChIKey
CBGXNWZHONTCDZ-UHFFFAOYSA-N- Molecular formula
- C20H15ClN6O2
- Average molar mass
- 406.8 g/mol
Names & identifiers
- Preferred name
- 2-(7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-5-methoxyphenol
- IUPAC
- 2-[10-(3-chloro-4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]-5-methoxyphenol
- English name
- 2-[7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-5-methoxyphenol
- Molecular formula
- C20H15ClN6O2
- Molecular weight
- 406.83
Names & synonyms
899384-44-22-(7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-5-methoxyphenol2-[10-(3-chloro-4-methylphenyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-4-yl]-5-methoxyphenol2-[7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-5-methoxyphenolSTK850293AKOS002321917ST50769359VU0611013-1F3329-01952-[10-(3-chloro-4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]-5-methoxyphenol2-[3-(3-chloro-4-methylphenyl)(6-hydropyrazolo[5,4-d]1,2,4-triazolo[1,5-e]pyri midin-8-yl)]-5-methoxyphenolPhenol, 2-[7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-5-methoxy-
Database identifiers
- CAS
899384-44-2
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 587
Physicochemical properties
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 7.46 · 7.46±0.40(Predicted)
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Compound notes
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