CAS RN: 519020-42-9
4-PYRIDAZINEMETHANAMINE
Product Availability
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5 package records0 with current stock1 grade group
- Product code: starshine_CAS519020-42-9
- Purity/Analytical Methods: >99.0%
519020-42-9 / pyridazin-4-ylmethanamine
Basic Information
CAS
519020-42-9
Multi CAS
Yes
Molecular Formula
C5H7N3
Molecular Weight
109.130000
Exact Mass
109.063997
InChI
InChI=1S/C5H7N3/c6-3-5-1-2-7-8-4-5/h1-2,4H,3,6H2
InChIKey
SEQBQXBBDMPPPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
29.92
TPSA
51.8
LogP / Solubility
WLOGP
-0.06
MLOGP
-0.07
XLogP3
-1.8
Consensus LogP
-0.64
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.44
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)
-3.43
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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