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CAS 88169-21-5 2-(1H-1,2,3-TRIAZOL-4-YL)PYRIDINE AND 2-(2H-1,2,3-TRIAZOL-4-YL)PYRIDINE molecular structure lightbox
CAS RN: 88169-21-5

2-(1H-1,2,3-TRIAZOL-4-YL)PYRIDINE AND 2-(2H-1,2,3-TRIAZOL-4-YL)PYRIDINE

  • Product code: SSC-198684
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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 88169-21-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

88169-21-5 / 2-(2H-triazol-4-yl)pyridine

Standard CAS: 88169-21-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88169-21-5
Multi CAS
Yes
Molecular Formula
C7H6N4
Molecular Weight
146.150000
Exact Mass
146.059246
InChI
InChI=1S/C7H6N4/c1-2-4-8-6(3-1)7-5-9-11-10-7/h1-5H,(H,9,10,11)
InChIKey
PRQUBDQDCAULSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.61
TPSA
54.46

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
0.2
Consensus LogP
0.61
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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

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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