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CAS RN: 1489-04-9
7-Amino-s-triazolo[1,5-a]-s-triazine
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.20251204 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1489-04-9
- Purity/Analytical Methods: >99.0%
1489-04-9 / [1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
Basic Information
CAS
1489-04-9
Multi CAS
No
Molecular Formula
C4H4N6
Molecular Weight
136.120000
Exact Mass
136.049744
SMILES
C1=NC2=NC=NN2C(=N1)N
InChI
InChI=1S/C4H4N6/c5-3-6-1-7-4-8-2-9-10(3)4/h1-2H,(H2,5,6,7,8,9)
InChIKey
ZHZWMRRPQUILBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
6
H-bond donors
1
Molar refractivity
32.99
TPSA
81.99
LogP / Solubility
WLOGP
-0.9
MLOGP
-0.8
XLogP3
-0.5
Consensus LogP
-0.73
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.03
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.2
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.19
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)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
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