![CAS 1013905-12-8 2-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB41501797.gif)
CAS RN: 1013905-12-8
2-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250701 | 50mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-002221
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1013905-12-8 / 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride
2-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine hydrochloride | MFCD11044797 | 2-(TRIFLUOROMETHYL)-5H,6H,7H,8H-[1,2,4]TRIAZOLO[1,5-A]PYRAZINE HYDROCHLORIDE
Basic Information
CAS
1013905-12-8
Multi CAS
No
Molecular Formula
C6H8ClF3N4
Molecular Weight
228.600000
Exact Mass
228.038959
SMILES
C1CN2C(=NC(=N2)C(F)(F)F)CN1.Cl
InChI
InChI=1S/C6H7F3N4.ClH/c7-6(8,9)5-11-4-3-10-1-2-13(4)12-5;/h10H,1-3H2;1H
InChIKey
IMHKQIUGWAESGE-UHFFFAOYSA-N
Synonyms
2-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine hydrochloride
MFCD11044797
2-(TRIFLUOROMETHYL)-5H,6H,7H,8H-[1,2,4]TRIAZOLO[1,5-A]PYRAZINE HYDROCHLORIDE
2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride
2-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[1,5-A]PYRAZINE HCL
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.67
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.98
TPSA
42.74
LogP / Solubility
WLOGP
0.82
MLOGP
0.73
XLogP3
0.82
Consensus LogP
0.79
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately 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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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