![CAS 1159812-50-6 Methyl 2-Methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1159812-50-6.gif)
CAS RN: 1159812-50-6
Methyl 2-Methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260203 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1159812-50-6
- Purity/Analytical Methods: >99.0%
1159812-50-6 / methyl 2-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
methyl 2-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate | MFCD12400880 | Methyl2-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
Basic Information
CAS
1159812-50-6
Multi CAS
No
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
SMILES
CC1=NN2C=C(C=CC2=N1)C(=O)OC
InChI
InChI=1S/C9H9N3O2/c1-6-10-8-4-3-7(9(13)14-2)5-12(8)11-6/h3-5H,1-2H3
InChIKey
VKPSRLINAGVRIW-UHFFFAOYSA-N
Synonyms
methyl 2-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
MFCD12400880
Methyl2-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SCHEMBL16808002
WLZ2806
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
49.06
TPSA
56.49
LogP / Solubility
WLOGP
0.82
MLOGP
0.72
XLogP3
1
Consensus LogP
0.85
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-3.3
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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![CAS 1159813-10-1 5-BroMo-2-Methyl-[1,2,4]triazolo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1159813-10-1.gif)
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