CAS RN: 1832583-43-3
5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-amine
- Product code: SSC-084782
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1832583-43-3 / 5-chloro-6-(triazol-2-yl)pyridin-3-amine
Basic Information
CAS
1832583-43-3
Multi CAS
No
Molecular Formula
C7H6ClN5
Molecular Weight
195.610000
Exact Mass
195.031173
SMILES
C1=NN(N=C1)C2=C(C=C(C=N2)N)Cl
InChI
InChI=1S/C7H6ClN5/c8-6-3-5(9)4-10-7(6)13-11-1-2-12-13/h1-4H,9H2
InChIKey
SPVSXXFBKUTYGT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.58
TPSA
69.62
LogP / Solubility
WLOGP
0.9
MLOGP
0.79
XLogP3
1.1
Consensus LogP
0.93
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.28
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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