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CAS 39876-84-1 2-(1,2,4-Triazol-1-yl)aniline molecular structure lightbox
CAS RN: 39876-84-1

2-(1,2,4-Triazol-1-yl)aniline

  • Product code: SSC-147644
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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: 5g, 0.1g, 0.25g, 1g
  • 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 39876-84-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Beijing Inquiry

39876-84-1 / 2-(1,2,4-triazol-1-yl)aniline

Standard CAS: 39876-84-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39876-84-1
Multi CAS
No
Molecular Formula
C8H8N4
Molecular Weight
160.180000
Exact Mass
160.074896
InChI
InChI=1S/C8H8N4/c9-7-3-1-2-4-8(7)12-6-10-5-11-12/h1-6H,9H2
InChIKey
ZZBULULHFMWHMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.77
TPSA
56.73

LogP / Solubility

WLOGP
0.85
MLOGP
0.74
XLogP3
1
Consensus LogP
0.86
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.09

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
1.5

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