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CAS 1416439-95-6 8-Trifluoromethyl-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine molecular structure lightbox
CAS RN: 1416439-95-6

8-Trifluoromethyl-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine

  • Product code: SSC-052124
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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
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 1416439-95-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Shenzhen Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1416439-95-6 / 8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Standard CAS: 1416439-95-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416439-95-6
Multi CAS
No
Molecular Formula
C7H5F3N4
Molecular Weight
202.140000
Exact Mass
202.046631
SMILES
C1=CN2C(=NC(=N2)N)C(=C1)C(F)(F)F
InChI
InChI=1S/C7H5F3N4/c8-7(9,10)4-2-1-3-14-5(4)12-6(11)13-14/h1-3H,(H2,11,13)
InChIKey
PKBQGDUCEDDCDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.4
TPSA
56.21

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
1.3
Consensus LogP
1.27
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately 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)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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