GIBH-130 100mg

CAT: 0628-A18333-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A18333-100Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1252608-59-5

Chemical Information

(4-Methyl-6-phenylpyridazin-3-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone

CAS Number	1252608-59-5
PubChem CID	50938773
IUPAC Name	(4-methyl-6-phenylpyridazin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
Molecular Formula	C20H20N6O
Molecular Weight	360.4
XLogP	1.9
Topological Polar Surface Area	75.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	483

SMILES

CC1=CC(=NN=C1C(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N6O/c1-15-14-17(16-6-3-2-4-7-16)23-24-18(15)19(27)25-10-12-26(13-11-25)20-21-8-5-9-22-20/h2-9,14H,10-13H2,1H3

InChIKey

ZTJHTEHADIHZJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1252608-59-5

CID: 50938773

Formula: C20H20N6O

MW: 360.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	360.4
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	360.16985928
Monoisotopic Mass	360.16985928
Topological Polar Surface Area	75.1 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	483
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