CAS RN: 136738-23-3
4-Acetylamino-6-methyl-3-oxo-2,3,4,5-tetrahydro-1,2,4-triazine
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250816 | 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
- Product code: starshine_CAS136738-23-3
- Purity/Analytical Methods: >99.0%
136738-23-3 / N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)acetamide
Basic Information
CAS
136738-23-3
Multi CAS
No
Molecular Formula
C6H10N4O2
Molecular Weight
170.170000
Exact Mass
170.080376
SMILES
CC1=NNC(=O)N(C1)NC(=O)C
InChI
InChI=1S/C6H10N4O2/c1-4-3-10(9-5(2)11)6(12)8-7-4/h3H2,1-2H3,(H,8,12)(H,9,11)
InChIKey
NCSCAWXVGUIUEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.16
TPSA
73.8
LogP / Solubility
WLOGP
-0.56
MLOGP
-0.5
XLogP3
-1.1
Consensus LogP
-0.72
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
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)
-4.16
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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