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CAS 518050-85-6 [(6-Chloro[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-methyl]amine hydrochloride molecular structure lightbox
CAS RN: 518050-85-6

[(6-Chloro[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-methyl]amine hydrochloride

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 100mg Out of stock Inquiry
Batchno.20250826 100mg / 250mg Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS518050-85-6
  • Purity/Analytical Methods: >99.0%
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518050-85-6 / (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine;hydrochloride

Standard CAS: 518050-85-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
518050-85-6
Multi CAS
No
Molecular Formula
C6H7CL2N5
Molecular Weight
220.060000
Exact Mass
219.007851
InChI
InChI=1S/C6H6ClN5.ClH/c7-4-1-2-5-9-10-6(3-8)12(5)11-4;/h1-2H,3,8H2;1H
InChIKey
ZQJNZIJFXOITQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.93
TPSA
69.1

LogP / Solubility

WLOGP
0.66
MLOGP
0.58
XLogP3
0.66
Consensus LogP
0.63
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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