CAS RN: 297172-18-0
5-(PIPERIDIN-4-YL)-4-METHYL-4H-1,2,4-TRIAZOLE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-132815
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 |
297172-18-0 / 4-(4-methyl-1,2,4-triazol-3-yl)piperidine
Basic Information
CAS
297172-18-0
Multi CAS
Yes
Molecular Formula
C8H14N4
Molecular Weight
166.220000
Exact Mass
166.121846
InChI
InChI=1S/C8H14N4/c1-12-6-10-11-8(12)7-2-4-9-5-3-7/h6-7,9H,2-5H2,1H3
InChIKey
LBGLYAJNIDZGGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.85
TPSA
42.74
LogP / Solubility
WLOGP
0.28
MLOGP
0.24
XLogP3
-0.4
Consensus LogP
0.04
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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