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CAS 168893-69-4 5-(5-chloro-2-pyridinyl)-1H-1,2,4-triazol-3-amine molecular structure lightbox
CAS RN: 168893-69-4

5-(5-chloro-2-pyridinyl)-1H-1,2,4-triazol-3-amine

  • Product code: SSC-073589
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 168893-69-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

168893-69-4 / 5-(5-chloro-2-pyridinyl)-1H-1,2,4-triazol-3-amine

Standard CAS: 168893-69-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
168893-69-4
Multi CAS
No
Molecular Formula
C7H6ClN5
Molecular Weight
195.610000
Exact Mass
195.031173
SMILES
C1=CC(=NC=C1Cl)C2=NC(=NN2)N
InChI
InChI=1S/C7H6ClN5/c8-4-1-2-5(10-3-4)6-11-7(9)13-12-6/h1-3H,(H3,9,11,12,13)
InChIKey
DACLQJIAJKLAIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.04
TPSA
80.48

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
0.9
Consensus LogP
0.99
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-3.13

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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