![CAS 63206-77-9 [1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63206-77-9.gif)
CAS RN: 63206-77-9
[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260126 | 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251002 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260128 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250408 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260311 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS63206-77-9
- Purity/Analytical Methods: >99.0%
63206-77-9 / 2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
Basic Information
CAS
63206-77-9
Multi CAS
Yes
Molecular Formula
C5H4N4O
Molecular Weight
136.110000
Exact Mass
136.038511
InChI
InChI=1S/C5H4N4O/c10-5-8-7-4-6-2-1-3-9(4)5/h1-3H,(H,8,10)
InChIKey
ZCVBEVJBVLYBBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
33.61
TPSA
63.05
LogP / Solubility
WLOGP
-0.58
MLOGP
-0.52
XLogP3
-0.9
Consensus LogP
-0.67
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.06
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.96
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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![CAS 63213-00-3 (R)-2′,3′-Dihydro-7′-hydroxy-5′-methoxyspiro[2-cyclohexene-1,1′-[1H]inden]-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63213-00-3.gif)
