![CAS 1799434-66-4 Lithium [1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1799434-66-4.gif)
CAS RN: 1799434-66-4
Lithium [1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260212 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260429 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260505 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251216 | 50mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250218 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1799434-66-4
- Purity/Analytical Methods: >99.0%
1799434-66-4 / lithium [1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
Basic Information
CAS
1799434-66-4
Multi CAS
No
Molecular Formula
C6H3LiN4O2
Molecular Weight
170.100000
Exact Mass
170.041604
SMILES
[Li+].C1=CN2C(=NN=C2C(=O)[O-])C=N1
InChI
InChI=1S/C6H4N4O2.Li/c11-6(12)5-9-8-4-3-7-1-2-10(4)5;/h1-3H,(H,11,12);/q;+1/p-1
InChIKey
RLEXWKVDQSKKSU-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
35.11
TPSA
83.21
LogP / Solubility
WLOGP
-4.51
MLOGP
-3.97
XLogP3
-4.51
Consensus LogP
-4.33
Log S (ESOL)
1.5
Class (ESOL)
Highly soluble
Log S (Ali)
2.3
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.86
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-6.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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