![CAS 1214902-53-0 methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1214902-53-0.gif)
CAS RN: 1214902-53-0
methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
- Product code: SSC-023972
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1214902-53-0 / methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
Basic Information
CAS
1214902-53-0
Multi CAS
No
Molecular Formula
C8H8N4O2
Molecular Weight
192.170000
Exact Mass
192.064726
SMILES
COC(=O)C1=CC=CC2=NC(=NN21)N
InChI
InChI=1S/C8H8N4O2/c1-14-7(13)5-3-2-4-6-10-8(9)11-12(5)6/h2-4H,1H3,(H2,9,11)
InChIKey
AFCPXIWBBSGHAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
48.74
TPSA
82.51
LogP / Solubility
WLOGP
0.1
MLOGP
0.09
XLogP3
0.6
Consensus LogP
0.26
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82
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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