CAS RN: 2155875-35-5

6,8-Dichloro-[1,2,4]triazolo[1,5-a]pyridine

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  • Product code: starshine_CAS2155875-35-5
  • Purity/Analytical Methods: >99.0%
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2155875-35-5 / 6,8-dichloro-[1,2,4]triazolo[1,5-a]pyridine

Standard CAS: 2155875-35-5 Multi CAS: No

Basic Information

CAS
2155875-35-5
Multi CAS
No
Molecular Formula
C6H3Cl2N3
Molecular Weight
188.010000
Exact Mass
186.970403
SMILES
C1=C(C2=NC=NN2C=C1Cl)Cl
InChI
InChI=1S/C6H3Cl2N3/c7-4-1-5(8)6-9-3-10-11(6)2-4/h1-3H
InChIKey
CIWWPYGQGCRZDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
43.01
TPSA
30.19

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
2
Consensus LogP
1.94
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

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

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