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CAS 16778-70-4 1-ETHYL-1,2,4-TRIAZOLE molecular structure lightbox
CAS RN: 16778-70-4

1-ETHYL-1,2,4-TRIAZOLE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260517 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250106 1g In stock Inquiry
Batchno.20250819 250mg In stock Inquiry
Batchno.20251214 5g In stock Inquiry
  • Product code: SSC-073177
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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: 0.25g, 1g, 5g
  • 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 16778-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

16778-70-4 / 1-ethyl-1,2,4-triazole

Standard CAS: 16778-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16778-70-4
Multi CAS
No
Molecular Formula
C4H7N3
Molecular Weight
97.120000
Exact Mass
97.063997
SMILES
CCN1C=NC=N1
InChI
InChI=1S/C4H7N3/c1-2-7-4-5-3-6-7/h3-4H,2H2,1H3
InChIKey
FEOIYPLRWRCSMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
25.7
TPSA
30.71

LogP / Solubility

WLOGP
0.3
MLOGP
0.25
XLogP3
-0.4
Consensus LogP
0.05
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
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)
-3.1

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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