5-methyl-7-pyridin-1-ium-2-yl-N-pyridin-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Basic information
- CAS
6714-81-4- Standard SMILES
CC1=C(C(=O)Nc2ccccn2)C(c2cccc[nH+]2)n2ncnc2N1- InChIKey
XBVPQQJELOODDI-UHFFFAOYSA-O- Molecular formula
- C17H16N7O+
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.14163316
Names & identifiers
- Preferred name
- 5-methyl-7-pyridin-1-ium-2-yl-N-pyridin-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
- IUPAC
- 5-methyl-7-pyridin-1-ium-2-yl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Names & synonyms
6714-81-45-methyl-7-pyridin-1-ium-2-yl-N-pyridin-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamideDTXSID404224692-{5-Methyl-6-[(pyridin-2-yl)carbamoyl]-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}pyridin-1-ium
Database identifiers
- CAS
6714-81-4- PubChem CID
- 5239288
- DTXSID
DTXSID40422469
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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