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CAS 60406-75-9 3-(trifluoromethyl)-1H-1,2,4-triazole(SALTDATA: FREE) molecular structure lightbox
CAS RN: 60406-75-9

3-(trifluoromethyl)-1H-1,2,4-triazole(SALTDATA: FREE)

  • Product code: SSC-168997
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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: ≥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 60406-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

60406-75-9 / 5-(trifluoromethyl)-1H-1,2,4-triazole

Standard CAS: 60406-75-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60406-75-9
Multi CAS
No
Molecular Formula
C3F3H2N3
Molecular Weight
137.060000
Exact Mass
137.020082
InChI
InChI=1S/C3H2F3N3/c4-3(5,6)2-7-1-8-9-2/h1H,(H,7,8,9)
InChIKey
KZAQTVQJVOALDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
21.38
TPSA
41.57

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
0.9
Consensus LogP
0.81
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-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

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