CAS RN: 344413-28-1

3-Pyridazinemethanamine, 6-(4-morpholinyl)-

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  • Product code: starshine_CAS344413-28-1
  • Purity/Analytical Methods: >99.0%
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344413-28-1 / (6-morpholin-4-ylpyridazin-3-yl)methanamine

Standard CAS: 344413-28-1 Multi CAS: No

Basic Information

CAS
344413-28-1
Multi CAS
No
Molecular Formula
C9H14N4O
Molecular Weight
194.230000
Exact Mass
194.116761
InChI
InChI=1S/C9H14N4O/c10-7-8-1-2-9(12-11-8)13-3-5-14-6-4-13/h1-2H,3-7,10H2
InChIKey
IYDVRNCWATYWKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
52.96
TPSA
64.27

LogP / Solubility

WLOGP
-0.23
MLOGP
-0.2
XLogP3
-1.2
Consensus LogP
-0.54
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
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)
-4.07

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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