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CAS 1589503-98-9 6-methoxypyridazin-3-amine hydrochloride molecular structure lightbox
CAS RN: 1589503-98-9

6-methoxypyridazin-3-amine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251010 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: LINM910059
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1589503-98-9 / 6-methoxypyridazin-3-amine;hydrochloride

Standard CAS: 1589503-98-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1589503-98-9
Multi CAS
No
Molecular Formula
C5H8ClN3O
Molecular Weight
161.590000
Exact Mass
161.035590
SMILES
COC1=NN=C(C=C1)N.Cl
InChI
InChI=1S/C5H7N3O.ClH/c1-9-5-3-2-4(6)7-8-5;/h2-3H,1H3,(H2,6,7);1H
InChIKey
SMQXTAFGVWBZDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.24
TPSA
61.03

LogP / Solubility

WLOGP
0.49
MLOGP
0.43
XLogP3
0.49
Consensus LogP
0.47
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-3.36

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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