CAS RN: 16289-54-6
5-(2-PYRAZINYL)-1H-TETRAZOLE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260205 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINP887206
16289-54-6 / 2-(2H-tetrazol-5-yl)pyrazine
Basic Information
CAS
16289-54-6
Multi CAS
No
Molecular Formula
C5H4N6
Molecular Weight
148.130000
Exact Mass
148.049744
SMILES
C1=CN=C(C=N1)C2=NNN=N2
InChI
InChI=1S/C5H4N6/c1-2-7-4(3-6-1)5-8-10-11-9-5/h1-3H,(H,8,9,10,11)
InChIKey
KKCLDPWLTMYUOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
35.2
TPSA
80.24
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.31
XLogP3
-1
Consensus LogP
-0.55
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very 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)
-3.87
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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