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CAS 1538440-91-3 2-Methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid molecular structure lightbox
CAS RN: 1538440-91-3

2-Methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260224 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1538440-91-3
  • Purity/Analytical Methods: >99.0%
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1538440-91-3 / 2-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

Standard CAS: 1538440-91-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1538440-91-3
Multi CAS
No
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
SMILES
CC1=NN2C=C(C=CC2=N1)C(=O)O
InChI
InChI=1S/C8H7N3O2/c1-5-9-7-3-2-6(8(12)13)4-11(7)10-5/h2-4H,1H3,(H,12,13)
InChIKey
GHPWVWLBSQNYIC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.68
TPSA
67.49

LogP / Solubility

WLOGP
0.74
MLOGP
0.64
XLogP3
0.7
Consensus LogP
0.69
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.28

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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