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CAS 1542234-40-1 2,6-Di(2H-1,2,3-triazol-4-yl)pyridine molecular structure lightbox
CAS RN: 1542234-40-1

2,6-Di(2H-1,2,3-triazol-4-yl)pyridine

  • Product code: SSC-063589
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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: ≥98%
  • 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 1542234-40-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

1542234-40-1 / 2,6-bis(2H-triazol-4-yl)pyridine

Standard CAS: 1542234-40-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1542234-40-1
Multi CAS
No
Molecular Formula
C9H7N7
Molecular Weight
213.200000
Exact Mass
213.076293
SMILES
C1=CC(=NC(=C1)C2=NNN=C2)C3=NNN=C3
InChI
InChI=1S/C9H7N7/c1-2-6(8-4-10-15-13-8)12-7(3-1)9-5-11-16-14-9/h1-5H,(H,10,13,15)(H,11,14,16)
InChIKey
GTUXTIISPOXPEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
54.99
TPSA
96.03

LogP / Solubility

WLOGP
0.65
MLOGP
0.58
XLogP3
-0.4
Consensus LogP
0.28
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.56

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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