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CAS 194209-18-2 Ethanone, 1-(1-methyl-1H-1,2,3-triazol-5-yl)- (9CI) molecular structure lightbox
CAS RN: 194209-18-2

Ethanone, 1-(1-methyl-1H-1,2,3-triazol-5-yl)- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250220 100mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-091694
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 5g, 25g, 0.25g, 10g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 194209-18-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Shanghai Inquiry
5g >95% 2 In Stock Shenzhen Inquiry
25g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
10g >95% 0 Out of Stock Beijing Inquiry
100g >95% 0 Out of Stock Beijing Inquiry

194209-18-2 / 1-(3-methyltriazol-4-yl)ethanone

Standard CAS: 194209-18-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
194209-18-2
Multi CAS
No
Molecular Formula
C5H7N3O
Molecular Weight
125.130000
Exact Mass
125.058912
SMILES
CC(=O)C1=CN=NN1C
InChI
InChI=1S/C5H7N3O/c1-4(9)5-3-6-7-8(5)2/h3H,1-2H3
InChIKey
OUEAKYQSJVMRDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
31.01
TPSA
47.78

LogP / Solubility

WLOGP
0.02
MLOGP
0.01
XLogP3
-0.3
Consensus LogP
-0.09
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
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)
-3.47

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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