![CAS 681249-56-9 2-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[1,5-A]PYRAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/681249-56-9.gif)
CAS RN: 681249-56-9
2-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[1,5-A]PYRAZINE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
- Product code: SSC-177848
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 | Shenzhen | Inquiry |
681249-56-9 / 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine
Basic Information
CAS
681249-56-9
Multi CAS
No
Molecular Formula
C6F3H3N4
Molecular Weight
188.110000
Exact Mass
188.030981
InChI
InChI=1S/C6H3F3N4/c7-6(8,9)5-11-4-3-10-1-2-13(4)12-5/h1-3H
InChIKey
PODZNIVAQJSKBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
Molar refractivity
35.78
TPSA
43.08
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
0.6
Consensus LogP
0.91
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.06
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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