CAS RN: 23195-62-2
2-(1H-1,2,4-Triazol-3-yl)pyridine
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock2 grade groups
- Product code: SSC-112748
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
23195-62-2 / 2-(1H-1,2,4-triazol-5-yl)pyridine
Basic Information
CAS
23195-62-2
Multi CAS
No
Molecular Formula
C7H6N4
Molecular Weight
146.150000
Exact Mass
146.059246
SMILES
C1=CC=NC(=C1)C2=NC=NN2
InChI
InChI=1S/C7H6N4/c1-2-4-8-6(3-1)7-9-5-10-11-7/h1-5H,(H,9,10,11)
InChIKey
PVMLJDLTWMGZAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.61
TPSA
54.46
LogP / Solubility
WLOGP
0.87
MLOGP
0.76
XLogP3
0.6
Consensus LogP
0.74
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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
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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