CAS RN: 297171-80-3
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260110 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS297171-80-3
- Purity/Analytical Methods: >99.0%
297171-80-3 / 4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride
Basic Information
CAS
297171-80-3
Multi CAS
Yes
Molecular Formula
C8H15CLN4
Molecular Weight
202.680000
Exact Mass
202.098524
InChI
InChI=1S/C8H14N4.ClH/c1-12-6-10-11-8(12)7-2-4-9-5-3-7;/h6-7,9H,2-5H2,1H3;1H
InChIKey
ZUPNLPWZBNAOSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.1
TPSA
42.74
LogP / Solubility
WLOGP
0.7
MLOGP
0.62
XLogP3
0.7
Consensus LogP
0.67
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-3.46
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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