[email protected]
CAS 1956334-72-7 1,2,4-Triazolo[4,3-b]pyridazin-8-amine, 3-methyl-6-(4-methyl-3-nitrophenyl)- molecular structure lightbox
CAS RN: 1956334-72-7

1,2,4-Triazolo[4,3-b]pyridazin-8-amine, 3-methyl-6-(4-methyl-3-nitrophenyl)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260131 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1956334-72-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1956334-72-7 / 3-methyl-6-(4-methyl-3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

Standard CAS: 1956334-72-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956334-72-7
Multi CAS
No
Molecular Formula
C13H12N6O2
Molecular Weight
284.270000
Exact Mass
284.102174
SMILES
CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C(=C2)N)C)[N+](=O)[O-]
InChI
InChI=1S/C13H12N6O2/c1-7-3-4-9(5-12(7)19(20)21)11-6-10(14)13-16-15-8(2)18(13)17-11/h3-6H,14H2,1-2H3
InChIKey
UNNWPWZTRKQJAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
76.76
TPSA
112.24

LogP / Solubility

WLOGP
1.9
MLOGP
1.68
XLogP3
1.3
Consensus LogP
1.63
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us