CAS RN: 676256-24-9

1,2,4-Triazolo[4,3-a]pyridine-7-carboxaldehyde (9CI)

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Batchno.20250423 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS676256-24-9
  • Purity/Analytical Methods: >99.0%
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676256-24-9 / [1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde

Standard CAS: 676256-24-9 Multi CAS: No

Basic Information

CAS
676256-24-9
Multi CAS
No
Molecular Formula
C7H5N3O
Molecular Weight
147.130000
Exact Mass
147.043262
InChI
InChI=1S/C7H5N3O/c11-4-6-1-2-10-5-8-9-7(10)3-6/h1-5H
InChIKey
VILHVNRQIADSEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
38.37
TPSA
47.26

LogP / Solubility

WLOGP
0.54
MLOGP
0.47
XLogP3
0.6
Consensus LogP
0.54
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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