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CAS 56616-99-0 5-Chloro-1-methyl-1H-1,2,4-triazole molecular structure lightbox
CAS RN: 56616-99-0

5-Chloro-1-methyl-1H-1,2,4-triazole

  • Product code: SSC-164639
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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, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 56616-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry

56616-99-0 / 5-chloro-1-methyl-1,2,4-triazole

Standard CAS: 56616-99-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56616-99-0
Multi CAS
No
Molecular Formula
C3H4CLN3
Molecular Weight
117.540000
Exact Mass
117.009375
InChI
InChI=1S/C3H4ClN3/c1-7-3(4)5-2-6-7/h2H,1H3
InChIKey
NAUJAPIAZAJWLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
26.01
TPSA
30.71

LogP / Solubility

WLOGP
0.47
MLOGP
0.4
XLogP3
1
Consensus LogP
0.62
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
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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