CAS RN: 281232-20-0
6-(1H-1,2,4-Triazol-1-yl)nicotinic acid
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.20250425 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS281232-20-0
- Purity/Analytical Methods: >99.0%
281232-20-0 / 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylic acid
Basic Information
CAS
281232-20-0
Multi CAS
Yes
Molecular Formula
C8H6N4O2
Molecular Weight
190.160000
Exact Mass
190.049075
InChI
InChI=1S/C8H6N4O2/c13-8(14)6-1-2-7(10-3-6)12-5-9-4-11-12/h1-5H,(H,13,14)
InChIKey
NJFDCMZQICBBGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.11
TPSA
80.9
LogP / Solubility
WLOGP
0.36
MLOGP
0.32
XLogP3
0.5
Consensus LogP
0.39
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
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)
-3.62
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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