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CAS 486460-20-2 3-(Trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine molecular structure lightbox
CAS RN: 486460-20-2

3-(Trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251011 100mg Out of stock Inquiry
Batchno.20250317 1g Out of stock Inquiry
Batchno.20251120 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250126 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS486460-20-2
  • Purity/Analytical Methods: >99.0%
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486460-20-2 / 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

Standard CAS: 486460-20-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
486460-20-2
Multi CAS
Yes
Molecular Formula
C6F3H3N4
Molecular Weight
188.110000
Exact Mass
188.030981
InChI
InChI=1S/C6H3F3N4/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5/h1-3H
InChIKey
HHRYGAGDPASJQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
Molar refractivity
35.78
TPSA
43.08

LogP / Solubility

WLOGP
1.14
MLOGP
1
XLogP3
1
Consensus LogP
1.05
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.06

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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