CAS RN: 66346-91-6

3-Amino-6-morpholin-4-ylpyridazine

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  • Product code: starshine_CAS66346-91-6
  • Purity/Analytical Methods: >99.0%
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66346-91-6 / 6-morpholin-4-ylpyridazin-3-amine

Standard CAS: 66346-91-6 Multi CAS: No

Basic Information

CAS
66346-91-6
Multi CAS
No
Molecular Formula
C8H12N4O
Molecular Weight
180.210000
Exact Mass
180.101111
InChI
InChI=1S/C8H12N4O/c9-7-1-2-8(11-10-7)12-3-5-13-6-4-12/h1-2H,3-6H2,(H2,9,10)
InChIKey
IEUHTZVAUDMKQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
49.48
TPSA
64.27

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.09
XLogP3
-0.4
Consensus LogP
-0.2
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
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)
-3.89

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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