![CAS 1256643-58-9 3-methyl-3H-[1,2,3]triazolo[4,5-b]pyridine-6-carboxylic acid(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256643-58-9.gif)
CAS RN: 1256643-58-9
3-methyl-3H-[1,2,3]triazolo[4,5-b]pyridine-6-carboxylic acid(SALTDATA: FREE)
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.20250812 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1256643-58-9
- Purity/Analytical Methods: >99.0%
1256643-58-9 / 3-methyltriazolo[4,5-b]pyridine-6-carboxylic acid
Basic Information
CAS
1256643-58-9
Multi CAS
No
Molecular Formula
C7H6N4O2
Molecular Weight
178.150000
Exact Mass
178.049075
SMILES
CN1C2=C(C=C(C=N2)C(=O)O)N=N1
InChI
InChI=1S/C7H6N4O2/c1-11-6-5(9-10-11)2-4(3-8-6)7(12)13/h2-3H,1H3,(H,12,13)
InChIKey
QDFVDLJZCYHXHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
43.26
TPSA
80.9
LogP / Solubility
WLOGP
0.06
MLOGP
0.05
XLogP3
-0.1
Consensus LogP
0.0000
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-3.76
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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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