![CAS 944906-91-6 3-PHENYL-5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944906-91-6.gif)
CAS RN: 944906-91-6
3-PHENYL-5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-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.20250329 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS944906-91-6
- Purity/Analytical Methods: >99.0%
944906-91-6 / 3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
Basic Information
CAS
944906-91-6
Multi CAS
Yes
Molecular Formula
C11H12N4
Molecular Weight
200.240000
Exact Mass
200.106196
InChI
InChI=1S/C11H12N4/c1-2-4-9(5-3-1)11-14-13-10-8-12-6-7-15(10)11/h1-5,12H,6-8H2
InChIKey
LQGPOIKERKOIAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.16
TPSA
42.74
LogP / Solubility
WLOGP
1.05
MLOGP
0.92
XLogP3
0.2
Consensus LogP
0.72
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-3.2
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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