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CAS 36770-50-0 2-(3-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-5-YL)PYRIDINE molecular structure lightbox
CAS RN: 36770-50-0

2-(3-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-5-YL)PYRIDINE

  • Product code: SSC-144005
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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 36770-50-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

36770-50-0 / 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine

Standard CAS: 36770-50-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36770-50-0
Multi CAS
No
Molecular Formula
C12H9N5
Molecular Weight
223.230000
Exact Mass
223.085795
InChI
InChI=1S/C12H9N5/c1-2-6-14-10(3-1)12-15-11(16-17-12)9-4-7-13-8-5-9/h1-8H,(H,15,16,17)
InChIKey
WOFXUCJTFGKKIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.84
TPSA
67.35

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.2
Consensus LogP
1.61
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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