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CAS 20284-90-6 2,3,6-Triaminopyridine dihydrochloride molecular structure lightbox
CAS RN: 20284-90-6

2,3,6-Triaminopyridine dihydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260324 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS20284-90-6
  • Purity/Analytical Methods: >99.0%
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20284-90-6 / pyridine-2,3,6-triamine;dihydrochloride

Standard CAS: 20284-90-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20284-90-6
Multi CAS
No
Molecular Formula
C5H10Cl2N4
Molecular Weight
197.060000
Exact Mass
196.028252
SMILES
C1=CC(=NC(=C1N)N)N.Cl.Cl
InChI
InChI=1S/C5H8N4.2ClH/c6-3-1-2-4(7)9-5(3)8;;/h1-2H,6H2,(H4,7,8,9);2*1H
InChIKey
OLOSAKLIEXRQST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
51.97
TPSA
90.95

LogP / Solubility

WLOGP
0.67
MLOGP
0.59
XLogP3
0.67
Consensus LogP
0.64
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-3.45

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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