![CAS 872206-45-6 6-hydroxy-5-Methylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/872206-45-6.gif)
CAS RN: 872206-45-6
6-hydroxy-5-Methylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-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.20250816 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS872206-45-6
- Purity/Analytical Methods: >99.0%
872206-45-6 / 6-hydroxy-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
Basic Information
CAS
872206-45-6
Multi CAS
Yes
Molecular Formula
C7H7N3O2
Molecular Weight
165.150000
Exact Mass
165.053826
InChI
InChI=1S/C7H7N3O2/c1-4-5(11)2-10-6(4)7(12)8-3-9-10/h2-3,11H,1H3,(H,8,9,12)
InChIKey
PCWSBYIKVFVFGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.21
TPSA
70.39
LogP / Solubility
WLOGP
0.04
MLOGP
0.03
XLogP3
0.2
Consensus LogP
0.09
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
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)
-3.7
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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