Text Search
Structure Search

4-chloro-N'-methyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide

4-chloro-N'-methyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide

CAS: 672950-95-7

Formula: C18H13ClF3N5O

SMILES: CN(NC(=O)C1=CC=C(Cl)C=C1)C1=NC(=NN=C1C(F)(F)F)C1=CC=CC=C1

IUPAC: 4-chloro-N'-methyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide

InChI: InChI=1S/C18H13ClF3N5O/c1-27(26-17(28)12-7-9-13(19)10-8-12)16-14(18(20,21)22)24-25-15(23-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,26,28)

Composition: C (53.02%), H (3.21%), Cl (8.69%), F (13.98%), N (17.17%), O (3.92%)

Molar Mass: 407.78

Atom Count: 41

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 407.0760722
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey LTLJEIYQBUMWEB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 121.28
Topological Polar Surface Area 71.01
Polarizability 36.36
Ring Count 3
Rotatable Bond Count 5

Suppliers

No suppliers are currently stocking this item.