2,5-dimethyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
Basic information
- CAS
439108-93-7- Standard SMILES
Cc1cc2nc(C)c3c(n2n1)CCC3- InChIKey
NFMVIPRXVFLZGP-UHFFFAOYSA-N- Molecular formula
- C11H13N3
- Average molar mass
- 187.24 g/mol
Names & identifiers
- Preferred name
- 2,5-dimethyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
- IUPAC
- 7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
- English name
- 2,5-Dimethyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
- Molecular formula
- C11H13N3
- Molecular weight
- 187.24
Names & synonyms
439108-93-72,5-dimethyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidineMFCD030125947,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraeneMLS000763955CHEMBL1563041HMS2711B08STL390673AKOS003726211CCG-320722SMR000336092
Show more names
6H-Cyclopenta[e]pyrazolo[1,5-a]pyrimidine, 7,8-dihydro-2,5-dimethyl-
4T-0819
Database identifiers
- CAS
439108-93-7- ChEMBL
CHEMBL1563041- Nikkaji
- J3.055.602J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Experimental & physicochemical properties
Solubility>28.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 2.26 · 2.26±0.20(Predicted)
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Compound notes
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