![CAS 763105-70-0 N’-[(2Z)-Piperazin-2-ylidene]trifluoroacetohydrazide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/763105-70-0.gif)
CAS RN: 763105-70-0
N’-[(2Z)-Piperazin-2-ylidene]trifluoroacetohydrazide
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS763105-70-0
- Purity/Analytical Methods: >99.0%
763105-70-0 / 2,2,2-trifluoro-N'-(1,2,3,6-tetrahydropyrazin-5-yl)acetohydrazide
Basic Information
CAS
763105-70-0
Multi CAS
No
Molecular Formula
C6F3H9N4O
Molecular Weight
210.160000
Exact Mass
210.072845
InChI
InChI=1S/C6H9F3N4O/c7-6(8,9)5(14)13-12-4-3-10-1-2-11-4/h10H,1-3H2,(H,11,12)(H,13,14)
InChIKey
RKIDLJBEMIARHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
42.51
TPSA
65.52
LogP / Solubility
WLOGP
-0.83
MLOGP
-0.73
XLogP3
-0.5
Consensus LogP
-0.69
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.34
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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