7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Basic information
- CAS
790243-29-7- Standard SMILES
Cc1ccnc2nc(C(=O)NC3CCCc4ccccc43)nn12- InChIKey
GYMKDBPAFLRVNR-UHFFFAOYSA-N- Molecular formula
- C17H17N5O
- Average molar mass
- 307.35 g/mol
- Monoisotopic mass
- 307.14331018
Names & identifiers
- Preferred name
- 7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Names & synonyms
7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamideMLS000772332CHEMBL1300341DTXSID501322838HMS1715O22HMS2718B05AKOS033962831790243-29-7SMR000344523Z263981947-Methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Database identifiers
- CAS
790243-29-7- PubChem CID
- 3906266
- DTXSID
DTXSID501322838- ChEMBL
CHEMBL1300341
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 445
Experimental & physicochemical properties
Solubility45.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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