(rac)-7-(4-Cyanophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC1=C(C#N)C(c2ccc(C#N)cc2)n2nc(-c3cccs3)nc2N1- InChIKey
IEHOBMNOTLOHFH-UHFFFAOYSA-N- Molecular formula
- C18H12N6S
- Average molar mass
- 344.4 g/mol
Names & identifiers
- Preferred name
- (rac)-7-(4-Cyanophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
- IUPAC
- 7-(4-cyanophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Names & synonyms
SCHEMBL231767IEHOBMNOTLOHFH-UHFFFAOYSA-N(rac)-7-(4-Cyanophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Database identifiers
- PubChem CID
- 136355665
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 649
Related reactions
4 records
Compound notes
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