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CAS 252742-72-6 3-(Chloromethyl)-1,2,4-triazolin-5-one molecular structure lightbox
CAS RN: 252742-72-6

3-(Chloromethyl)-1,2,4-triazolin-5-one

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260623 100g In stock Inquiry
Batchno.20250320 10g In stock Inquiry
Batchno.20260329 1g In stock Inquiry
Batchno.20260220 25g In stock Inquiry
Batchno.20250131 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251205 100g In stock Shanghai Inquiry
Batchno.20260420 10g In stock Shanghai Inquiry
Batchno.20260401 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250409 25g In stock Shanghai Inquiry
Batchno.20260318 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260611 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-121090
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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, 5g, 10g, 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 252742-72-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

252742-72-6 / 3-(chloromethyl)-3,4-dihydro-1,2,4-triazol-5-one

Standard CAS: 252742-72-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252742-72-6
Multi CAS
No
Molecular Formula
C3H4ClN3O
Molecular Weight
133.540000
Exact Mass
133.004290
SMILES
C(C1NC(=O)N=N1)Cl
InChI
InChI=1S/C3H4ClN3O/c4-1-2-5-3(8)7-6-2/h2H,1H2,(H,5,8)
InChIKey
QRNGMDKOPCBMBP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
27.9
TPSA
53.82

LogP / Solubility

WLOGP
0.73
MLOGP
0.63
XLogP3
0.5
Consensus LogP
0.62
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
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)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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