CAS RN: 1609406-73-6

6-methyl-3-pyridazinecarboximidamide acetate

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5 package records4 with current stock1 grade group
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Batchno.20260428 100mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS1609406-73-6
  • Purity/Analytical Methods: >99.0%
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1609406-73-6 / acetic acid;6-methylpyridazine-3-carboximidamide

Standard CAS: 1609406-73-6 Multi CAS: No

Basic Information

CAS
1609406-73-6
Multi CAS
No
Molecular Formula
C8H12N4O2
Molecular Weight
196.210000
Exact Mass
196.096026
SMILES
CC1=NN=C(C=C1)C(=N)N.CC(=O)O
InChI
InChI=1S/C6H8N4.C2H4O2/c1-4-2-3-5(6(7)8)10-9-4;1-2(3)4/h2-3H,1H3,(H3,7,8);1H3,(H,3,4)
InChIKey
GHDURJSQFZPGEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
51.09
TPSA
112.95

LogP / Solubility

WLOGP
0.16
MLOGP
0.14
XLogP3
0.16
Consensus LogP
0.15
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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