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CAS 13274-43-6 4-METHYL-1,2,4-TRIAZOLINE-3,5-DIONE molecular structure lightbox
CAS RN: 13274-43-6

4-METHYL-1,2,4-TRIAZOLINE-3,5-DIONE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251108 100mg In stock Shanghai Inquiry
Batchno.20260430 1g Out of stock 15 business days Inquiry
Batchno.20250129 1g In stock Shanghai Inquiry
Batchno.20260209 250mg In stock Shanghai Inquiry
  • Product code: SSC-039532
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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 13274-43-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

13274-43-6 / 4-methyl-1,2,4-triazole-3,5-dione

Standard CAS: 13274-43-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13274-43-6
Multi CAS
No
Molecular Formula
C3H3N3O2
Molecular Weight
113.080000
Exact Mass
113.022526
SMILES
CN1C(=O)N=NC1=O
InChI
InChI=1S/C3H3N3O2/c1-6-2(7)4-5-3(6)8/h1H3
InChIKey
XRYKNRLGZZNWEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
23.41
TPSA
62.1

LogP / Solubility

WLOGP
0.62
MLOGP
0.54
XLogP3
0.2
Consensus LogP
0.45
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very 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)
-2.97

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H228 (100%): Flammable solid [Danger Flammable solids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501

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