6-(4-benzylaminophenyl)-5-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one

HCID 13469445
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Basic information

Standard SMILES
CC1NC(=O)NN=C1c1ccc(NCc2ccccc2)cc1
InChIKey
CWUVETSCYBRJMI-UHFFFAOYSA-N
Molecular formula
C17H18N4O
Average molar mass
294.35 g/mol
Monoisotopic mass
294.14806121

Names & identifiers

Preferred name
6-(4-benzylaminophenyl)-5-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one
IUPAC
6-[4-(benzylamino)phenyl]-5-methyl-4,5-dihydro-2H-1,2,4-triazin-3-one

Names & synonyms

SCHEMBL10887250CWUVETSCYBRJMI-UHFFFAOYSA-N6-(4-benzylaminophenyl)-5-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one

Database identifiers

PubChem CID
13469445

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
65.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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