CAS RN: 90220-88-5
“1-(pyridin-2-yl)-1H-1,2,4-triazole-3-carboxylic acid”
- Product code: SSC-202700
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
90220-88-5 / 1-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid
Basic Information
CAS
90220-88-5
Multi CAS
No
Molecular Formula
C8H6N4O2
Molecular Weight
190.160000
Exact Mass
190.049075
InChI
InChI=1S/C8H6N4O2/c13-8(14)7-10-5-12(11-7)6-3-1-2-4-9-6/h1-5H,(H,13,14)
InChIKey
HPLFJBWLUZPHFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.11
TPSA
80.9
LogP / Solubility
WLOGP
0.36
MLOGP
0.32
XLogP3
0.8
Consensus LogP
0.49
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-3.62
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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