321431-07-6
5-METHYL-1-(4-NITROPHENYL)-N-PHENYL-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE
Name5-METHYL-1-(4-NITROPHENYL)-N-PHENYL-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE
1Identification
【Name】
5-METHYL-1-(4-NITROPHENYL)-N-PHENYL-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD00173073
【English Synonyms】
【Formula】
C16 H13 N5 O3
【MolWeight】
323.311
【Inchi】
InChI=1S/C16H13N5O3/c1-11-17-15(16(22)18-12-5-3-2-4-6-12)19-20(11)13-7-9-14(10-8-13)21(23)24/h2-10H,1H3,(H,18,22)
【InChIKey】
InChIKey=QRPGLJHWDAMCNW-UHFFFAOYSA-N
【SMILES】
Cc1nc(nn1c2ccc(cc2)[N+](=O)[O-])C(=O)Nc3ccccc3
【MOL File】
5-METHYL-1-(4-NITROP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-1-(4-NITROPHENYL)-N-PHENYL-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE.cml