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CAS 1699465-06-9 6-Butylpyridazin-3-amine molecular structure lightbox
CAS RN: 1699465-06-9

6-Butylpyridazin-3-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250717 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1699465-06-9
  • Purity/Analytical Methods: >99.0%
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1699465-06-9 / 6-butylpyridazin-3-amine

Standard CAS: 1699465-06-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1699465-06-9
Multi CAS
No
Molecular Formula
C8H13N3
Molecular Weight
151.210000
Exact Mass
151.110947
SMILES
CCCCC1=NN=C(C=C1)N
InChI
InChI=1S/C8H13N3/c1-2-3-4-7-5-6-8(9)11-10-7/h5-6H,2-4H2,1H3,(H2,9,11)
InChIKey
ZDRLUFCIIWDIGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.06
TPSA
51.8

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.2
Consensus LogP
1.28
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately 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)
-2.65

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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