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3-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline

3-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline

CAS: 764710-30-7

Formula: C10H9N5S

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

IUPAC: 3-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline

InChI: InChI=1S/C10H9N5S/c1-6-12-13-10-15(6)14-9(16-10)7-3-2-4-8(11)5-7/h2-5H,11H2,1H3

Composition: C (51.93%), H (3.92%), N (30.28%), S (13.86%)

Molar Mass: 231.28

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 231.057866484
Formal Charge 0
FSP3 0.1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey PPOORTJZDQRGSA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.07
Topological Polar Surface Area 69.1
Polarizability 23.42
Ring Count 3
Rotatable Bond Count 1

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