![CAS 67410-57-5 Imidazo[1,2-a]-1,3,5-triazine-2,4(1H,3H)-dione (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/67410-57-5.gif)
CAS RN: 67410-57-5
Imidazo[1,2-a]-1,3,5-triazine-2,4(1H,3H)-dione (9CI)
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS67410-57-5
- Purity/Analytical Methods: >99.0%
67410-57-5 / 1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione
Basic Information
CAS
67410-57-5
Multi CAS
Yes
Molecular Formula
C5H4N4O2
Molecular Weight
152.110000
Exact Mass
152.033425
InChI
InChI=1S/C5H4N4O2/c10-4-7-3-6-1-2-9(3)5(11)8-4/h1-2H,(H2,6,7,8,10,11)
InChIKey
OIWAVYDCTUEOEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.43
TPSA
83.02
LogP / Solubility
WLOGP
-1.29
MLOGP
-1.14
XLogP3
-0.7
Consensus LogP
-1.04
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
0.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.42
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)
-4.56
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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