![CAS 208772-67-2 2-Methyl-1H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92574522.gif)
CAS RN: 208772-67-2
2-Methyl-1H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251013 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-098103
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 |
208772-67-2 / 2-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid
Basic Information
CAS
208772-67-2
Multi CAS
No
Molecular Formula
C6H6N4O2
Molecular Weight
166.140000
Exact Mass
166.049075
SMILES
CC1=NC2=C(C=NN2N1)C(=O)O
InChI
InChI=1S/C6H6N4O2/c1-3-8-5-4(6(11)12)2-7-10(5)9-3/h2H,1H3,(H,8,9)(H,11,12)
InChIKey
YVEJUBUNEPUDQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
8
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39.03
TPSA
83.28
LogP / Solubility
WLOGP
0.06
MLOGP
0.05
XLogP3
0.6
Consensus LogP
0.24
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very 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)
-3.69
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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