LML134

CAT: 0127-BUP05489-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP05489-01Size:5 mg

Selected

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

Quick Request Actions

CAS Number

1542135-76-1

Synonyms

LML-134

Purity

=98%

Smiles

Cn1nc(ccc1=O)N1CCC(CC1)OC(=O)N1CCN(CC1)C1CCC1

Chemical Information

Lml-134

CAS Number	1542135-76-1
PubChem CID	72948400
IUPAC Name	[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
Molecular Formula	C19H29N5O3
Molecular Weight	375.5
XLogP	0.6
Topological Polar Surface Area	68.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	629

SMILES

CN1C(=O)C=CC(=N1)N2CCC(CC2)OC(=O)N3CCN(CC3)C4CCC4

InChI

InChI=1S/C19H29N5O3/c1-21-18(25)6-5-17(20-21)23-9-7-16(8-10-23)27-19(26)24-13-11-22(12-14-24)15-3-2-4-15/h5-6,15-16H,2-4,7-14H2,1H3

InChIKey

BVUJMFFRMZRNAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1542135-76-1

CID: 72948400

Formula: C19H29N5O3

MW: 375.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	375.5
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	375.22703980
Monoisotopic Mass	375.22703980
Topological Polar Surface Area	68.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	629
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

Catalog	Name
BA5431-5	LML134