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CUMI-101

CAT: 0013-GTR19197826-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197826-02Size:50 mg
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Description
CUMI-101 is a selective 5-HT1A receptor agonist used in neuroscience research. It is a valuable tool compound for investigating serotonin receptor function and signaling in both in vitro assays and in vivo behavioral studies.
CAS Number
179756-61-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O (C) C1=C (C=CC=C1) N2CCN (CCCCN3C (=O) N (C) C (=O) C=N3) CC2
Molecular Formula
C19H27N5O3
Molecular Weight
373.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cumi-101

Cumi-101 is a member of piperazines.

CAS Number179756-61-7
PubChem CID21830793
IUPAC Name2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
Molecular FormulaC19H27N5O3
Molecular Weight373.4
XLogP1.8
Topological Polar Surface Area68.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity547
SMILES
CN1C(=O)C=NN(C1=O)CCCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
InChIKey
MEKSQRMXWZHFIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cumi-101
CAS: 179756-61-7
CID: 21830793
Formula: C19H27N5O3
MW: 373.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.4
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass373.21138974
Monoisotopic Mass373.21138974
Topological Polar Surface Area68.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity547
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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