N-(2-Methylpropyl)-4-{(1E)-3-methyl-3-[(pyridin-4-yl)methyl]triaz-1-en-1-yl}benzamide
Basic information
- CAS
38681-60-6- Standard SMILES
CC(C)CNC(=O)c1ccc(N=NN(C)Cc2ccncc2)cc1- InChIKey
AUXRFEQKQIHRIK-UHFFFAOYSA-N- Molecular formula
- C18H23N5O
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.19026037
Names & identifiers
- Preferred name
- N-(2-Methylpropyl)-4-{(1E)-3-methyl-3-[(pyridin-4-yl)methyl]triaz-1-en-1-yl}benzamide
- IUPAC
- N-(2-methylpropyl)-4-[[methyl(pyridin-4-ylmethyl)amino]diazenyl]benzamide
Names & synonyms
38681-60-6NSC166760DTXSID40304675NSC-166760N-(2-Methylpropyl)-4-{(1E)-3-methyl-3-[(pyridin-4-yl)methyl]triaz-1-en-1-yl}benzamide
Database identifiers
- CAS
38681-60-6- PubChem CID
- 296556
- DTXSID
DTXSID40304675
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 398
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Compound notes
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