CAS RN: 88393-96-8

3-Pyridazinecarboxamide,6-methyl-(7CI)

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  • Product code: starshine_CAS88393-96-8
  • Purity/Analytical Methods: >99.0%
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88393-96-8 / 6-methylpyridazine-3-carboxamide

Standard CAS: 88393-96-8 Multi CAS: No

Basic Information

CAS
88393-96-8
Multi CAS
No
Molecular Formula
C6H7N3O
Molecular Weight
137.140000
Exact Mass
137.058912
InChI
InChI=1S/C6H7N3O/c1-4-2-3-5(6(7)10)9-8-4/h2-3H,1H3,(H2,7,10)
InChIKey
PAUJCLGAWVAYKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.29
TPSA
68.87

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.11
XLogP3
-0.5
Consensus LogP
-0.24
Log S (ESOL)
-1
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
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)
-3.64

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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