CAS RN: 3250-74-6
3-(2H-Tetrazol-5-yl)pyridine
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.20250818 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Chongqing | Inquiry |
3250-74-6 / 3-(2H-tetrazol-5-yl)pyridine
3-(2H-tetrazol-5-yl)pyridine | 5-(3-Pyridyl)tetrazole | Pyridyl-3-tetrazole
Basic Information
CAS
3250-74-6
Multi CAS
Yes
Molecular Formula
C6H5N5
Molecular Weight
147.140000
Exact Mass
147.054495
SMILES
C1=CC(=CN=C1)C2=NNN=N2
InChI
InChI=1S/C6H5N5/c1-2-5(4-7-3-1)6-8-10-11-9-6/h1-4H,(H,8,9,10,11)
InChIKey
SECHDFHDDVELCV-UHFFFAOYSA-N
Synonyms
3-(2H-tetrazol-5-yl)pyridine
5-(3-Pyridyl)tetrazole
Pyridyl-3-tetrazole
ZC84PPS834
DTXSID50186227
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
37.41
TPSA
67.35
LogP / Solubility
WLOGP
0.26
MLOGP
0.22
XLogP3
0.1
Consensus LogP
0.19
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.43
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)
Corrosive
Signal
Danger
GHS Hazard Statements
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
H318 (97.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
