CB75559092

CAT: 0013-GTR19231864-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19231864-02Size:250 mg

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Description

CB75559092

CAS Number

2135331-92-7

Purity

>98%

Smiles

CS (NC1=CC (C2=NN3C (C) =NN=C3C (N) =C2) =CC=C1C) (=O) =O

Molecular Formula

C14H16N6O2S

Molecular Weight

332.380840301514

Notes

For research use only.

Chemical Information

N-(5-(8-Amino-3-methyl-[1,2,4]triazolo[4,3-B]pyridazin-6-YL)-2-methylphenyl)methanesulfonamide

CAS Number	2135331-92-7
PubChem CID	138111490
IUPAC Name	N-[5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-methylphenyl]methanesulfonamide
Molecular Formula	C14H16N6O2S
Molecular Weight	332.38
XLogP	0.5
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	524

SMILES

CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C(=C2)N)C)NS(=O)(=O)C

InChI

InChI=1S/C14H16N6O2S/c1-8-4-5-10(6-12(8)19-23(3,21)22)13-7-11(15)14-17-16-9(2)20(14)18-13/h4-7,19H,15H2,1-3H3

InChIKey

COYMWGBRBXFYEM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2135331-92-7

CID: 138111490

Formula: C14H16N6O2S

MW: 332.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	332.38
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	332.10554495
Monoisotopic Mass	332.10554495
Topological Polar Surface Area	124 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	524
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes