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CAS 1046-56-6 5,6-Diphenyl-3-(2-pyridyl)-1,2,4-triazine molecular structure lightbox
CAS RN: 1046-56-6

5,6-Diphenyl-3-(2-pyridyl)-1,2,4-triazine

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251120 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250206 5g Out of stock Inquiry
  • Product code: SSC-006367
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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: ＞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 1046-56-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1046-56-6 / 5,6-diphenyl-3-pyridin-2-yl-1,2,4-triazine

3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine | 5,6-Diphenyl-3-(2-pyridyl)-1,2,4-triazine | 1,2,4-Triazine, 5,6-diphenyl-3-(2-pyridinyl)-

Standard CAS: 1046-56-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1046-56-6
Multi CAS
No
Molecular Formula
C20H14N4
Molecular Weight
310.400000
Exact Mass
310.121846
SMILES
C1=CC=C(C=C1)C2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C20H14N4/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-24-20(22-18)17-13-7-8-14-21-17/h1-14H
InChIKey
OTMYLOBWDNFTLO-UHFFFAOYSA-N
Synonyms
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine 5,6-Diphenyl-3-(2-pyridyl)-1,2,4-triazine 1,2,4-Triazine, 5,6-diphenyl-3-(2-pyridinyl)- FERROTRACE as-Triazine, 5,6-diphenyl-3-(2-pyridyl)-

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
93.93
TPSA
51.56

LogP / Solubility

WLOGP
4.27
MLOGP
3.77
XLogP3
3.1
Consensus LogP
3.71
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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