CAS RN: 40972-16-5
3-HYDRAZINOPYRIDAZINE
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS40972-16-5
- Purity/Analytical Methods: >99.0%
40972-16-5 / pyridazin-3-ylhydrazine
Basic Information
CAS
40972-16-5
Multi CAS
Yes
Molecular Formula
C4H6N4
Molecular Weight
110.120000
Exact Mass
110.059246
InChI
InChI=1S/C4H6N4/c5-7-4-2-1-3-6-8-4/h1-3H,5H2,(H,7,8)
InChIKey
YTRGNBTVTHPFJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
29.84
TPSA
63.83
LogP / Solubility
WLOGP
-0.24
MLOGP
-0.22
XLogP3
-0.6
Consensus LogP
-0.35
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.29
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.3
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)
-3.56
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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