![CAS 18591-70-3 6-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-8-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/18591-70-3.gif)
CAS RN: 18591-70-3
6-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-8-OL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250403 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS18591-70-3
- Purity/Analytical Methods: >99.0%
18591-70-3 / 6-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-8-one
Basic Information
CAS
18591-70-3
Multi CAS
No
Molecular Formula
C6H6N4O
Molecular Weight
150.140000
Exact Mass
150.054161
SMILES
CC1=CC(=O)C2=NN=CN2N1
InChI
InChI=1S/C6H6N4O/c1-4-2-5(11)6-8-7-3-10(6)9-4/h2-3,9H,1H3
InChIKey
VVQUAWREPHCLDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.34
TPSA
63.05
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.25
XLogP3
0.2
Consensus LogP
-0.11
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very 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)
-3.83
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
![CAS 18591-75-8 6,8-DIMETHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8341916(1).gif)
![CAS 18593-44-7 5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/18593-44-7.gif)
