![CAS 147916-84-5 8-iodo-1H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147916-84-5.gif)
CAS RN: 147916-84-5
8-iodo-1H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one
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.20250529 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS147916-84-5
- Purity/Analytical Methods: >99.0%
147916-84-5 / 8-iodo-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
Basic Information
CAS
147916-84-5
Multi CAS
No
Molecular Formula
C5H3IN4O
Molecular Weight
262.010000
Exact Mass
261.935160
SMILES
C1=NN2C(=C1I)N=CNC2=O
InChI
InChI=1S/C5H3IN4O/c6-3-1-9-10-4(3)7-2-8-5(10)11/h1-2H,(H,7,8,11)
InChIKey
RMTOJUXMHWGEHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.32
TPSA
63.05
LogP / Solubility
WLOGP
0.02
MLOGP
0.03
XLogP3
0.4
Consensus LogP
0.15
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-4.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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