CAS RN: 90175-93-2
6-(Aminomethyl)pyridazin-3(2H)-one hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250127 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS90175-93-2
- Purity/Analytical Methods: >99.0%
90175-93-2 / 3-(aminomethyl)-1H-pyridazin-6-one;hydrochloride
Basic Information
CAS
90175-93-2
Multi CAS
No
Molecular Formula
C5H8CLN3O
Molecular Weight
161.590000
Exact Mass
161.035590
InChI
InChI=1S/C5H7N3O.ClH/c6-3-4-1-2-5(9)8-7-4;/h1-2H,3,6H2,(H,8,9);1H
InChIKey
VJFFJRFVHXPNHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40
TPSA
71.77
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.31
XLogP3
-0.35
Consensus LogP
-0.34
Log S (ESOL)
-1
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
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)
-3.95
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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