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CAS 1671-87-0 3,6-Di(2-pyridyl)-1,2,4,5-tetrazine molecular structure lightbox
CAS RN: 1671-87-0

3,6-Di(2-pyridyl)-1,2,4,5-tetrazine

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250216 100g In stock Inquiry
Batchno.20250314 10g In stock Inquiry
Batchno.20260629 1g In stock Inquiry
Batchno.20250127 25g In stock Inquiry
Batchno.20251221 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260318 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20250524 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250423 25g In stock Shanghai Inquiry
Batchno.20260617 500g In stock Shanghai Inquiry
Batchno.20260502 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-072894
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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: 25g
  • Available purity: ≥97%
  • 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 1671-87-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

1671-87-0 / 3,6-dipyridin-2-yl-1,2,4,5-tetrazine

Standard CAS: 1671-87-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1671-87-0
Multi CAS
No
Molecular Formula
C12H8N6
Molecular Weight
236.230000
Exact Mass
236.081044
SMILES
C1=CC=NC(=C1)C2=NN=C(N=N2)C3=CC=CC=N3
InChI
InChI=1S/C12H8N6/c1-3-7-13-9(5-1)11-15-17-12(18-16-11)10-6-2-4-8-14-10/h1-8H
InChIKey
JFBIRMIEJBPDTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
64.08
TPSA
77.34

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
-0.1
Consensus LogP
0.84
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately 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)
-3.17

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] H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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