4-[(3,6-diphenyl-1,2,4-triazin-5-yl)oxy]benzonitrile

4-[(3,6-diphenyl-1,2,4-triazin-5-yl)oxy]benzonitrile

CAS: 339013-23-9

Formula: C22H14N4O

SMILES: N#CC1=CC=C(OC2=NC(=NN=C2C2=CC=CC=C2)C2=CC=CC=C2)C=C1

IUPAC: 4-[(3,6-diphenyl-1,2,4-triazin-5-yl)oxy]benzonitrile

InChI: InChI=1S/C22H14N4O/c23-15-16-11-13-19(14-12-16)27-22-20(17-7-3-1-4-8-17)25-26-21(24-22)18-9-5-2-6-10-18/h1-14H

Composition: C (75.42%), H (4.03%), N (15.99%), O (4.57%)

Molar Mass: 350.381

Atom Count: 41

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	350.116761087
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	CQMNNEKWDDJRNX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	115.04
Topological Polar Surface Area	71.69
Polarizability	41.13
Ring Count	4
Rotatable Bond Count	4

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