CAS RN: 937263-44-0

[1,2,4]Triazolo[1,5-a]pyridine, 7-(2-methyl-4-nitrophenoxy)-

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  • Product code: starshine_CAS937263-44-0
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937263-44-0 / 7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine

Standard CAS: 937263-44-0 Multi CAS: No

Basic Information

CAS
937263-44-0
Multi CAS
No
Molecular Formula
C13H10N4O3
Molecular Weight
270.240000
Exact Mass
270.075290
InChI
InChI=1S/C13H10N4O3/c1-9-6-10(17(18)19)2-3-12(9)20-11-4-5-16-13(7-11)14-8-15-16/h2-8H,1H3
InChIKey
RYAGSLNGXGMZRV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
70.89
TPSA
82.56

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.5
Consensus LogP
2.55
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble

ADME

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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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