![CAS 120641-09-0 6-Chloro-3H-1,2,3-triazolo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/120641-09-0.gif)
CAS RN: 120641-09-0
6-Chloro-3H-1,2,3-triazolo[4,5-c]pyridine
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.20260612 | 100mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS120641-09-0
- Purity/Analytical Methods: >99.0%
120641-09-0 / 6-chloro-2H-triazolo[4,5-c]pyridine
6-Chloro-3H-1,2,3-triazolo[4,5-c]pyridine | 6-chloro-3H-[1,2,3]triazolo[4,5-c]pyridine | 6-Chloro-2H-triazolo[4,5-c]pyridine
Basic Information
CAS
120641-09-0
Multi CAS
No
Molecular Formula
C5H3ClN4
Molecular Weight
154.560000
Exact Mass
154.004624
SMILES
C1=C(N=CC2=NNN=C21)Cl
InChI
InChI=1S/C5H3ClN4/c6-5-1-3-4(2-7-5)9-10-8-3/h1-2H,(H,8,9,10)
InChIKey
JSIIDEVMRSVGKA-UHFFFAOYSA-N
Synonyms
6-Chloro-3H-1,2,3-triazolo[4,5-c]pyridine
6-chloro-3H-[1,2,3]triazolo[4,5-c]pyridine
6-Chloro-2H-triazolo[4,5-c]pyridine
MFCD31634862
3H-1,2,3-Triazolo[4,5-c]pyridine, 6-chloro-
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.69
TPSA
54.46
LogP / Solubility
WLOGP
1.01
MLOGP
0.88
XLogP3
0.9
Consensus LogP
0.93
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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