3-methyl-6-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-methyl-6-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

CAS: 54025-94-4

Formula: C11H10N4S

SMILES: CC1=NN=C2SC=C(NN12)C1=CC=CC=C1

IUPAC: 3-methyl-6-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

InChI: InChI=1S/C11H10N4S/c1-8-12-13-11-15(8)14-10(7-16-11)9-5-3-2-4-6-9/h2-7,14H,1H3

Composition: C (57.37%), H (4.38%), N (24.33%), S (13.92%)

Molar Mass: 230.29

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	230.062617512
Formal Charge	0
FSP3	0.09
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QOPVQHXYUKCHCT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.46
Topological Polar Surface Area	42.74
Polarizability	24.53
Ring Count	3
Rotatable Bond Count	1

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