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CAS 18591-75-8 6,8-DIMETHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE molecular structure lightbox
CAS RN: 18591-75-8

6,8-DIMETHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE

  • Product code: SSC-086085
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 18591-75-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

18591-75-8 / 6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

Standard CAS: 18591-75-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18591-75-8
Multi CAS
No
Molecular Formula
C7H8N4
Molecular Weight
148.170000
Exact Mass
148.074896
SMILES
CC1=CC(=NN2C1=NN=C2)C
InChI
InChI=1S/C7H8N4/c1-5-3-6(2)10-11-4-8-9-7(5)11/h3-4H,1-2H3
InChIKey
ONNPSHRCILKBMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.29
H-bond acceptors
4
Molar refractivity
40.26
TPSA
43.08

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
0.5
Consensus LogP
0.63
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.31
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)
-3.1

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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