CAS RN: 58910-25-1
4-Ethyl-5-methyl-2H-1,2,4-triazol-3(4H)-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.20250123 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS58910-25-1
- Purity/Analytical Methods: >99.0%
58910-25-1 / 4-ethyl-3-methyl-1H-1,2,4-triazol-5-one
Basic Information
CAS
58910-25-1
Multi CAS
Yes
Molecular Formula
C5H9N3O
Molecular Weight
127.140000
Exact Mass
127.074562
InChI
InChI=1S/C5H9N3O/c1-3-8-4(2)6-7-5(8)9/h3H2,1-2H3,(H,7,9)
InChIKey
GROINEYGPPQQDZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.26
TPSA
50.68
LogP / Solubility
WLOGP
-0.1
MLOGP
-0.1
XLogP3
-0.3
Consensus LogP
-0.17
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
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)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2,2-Dimethyl-propionimidic acid ethyl ester hydrochloride
- CAS RN: 58910-26-2
- Product Code: SSC-167281
-
-
2-Formyl-5-(trifluoromethyl)phenol, 4-Formyl-3-hydroxybenzotrifluoride, 4-(Trifluoromethyl)salicylaldehyde
- CAS RN: 58914-34-4
- Product Code: SSC-167283
-
2-Formyl-3-(trifluoromethyl)phenol, 2-Formyl-3-hydroxybenzotrifluoride, 6-(Trifluoromethyl)salicylaldehyde
- CAS RN: 58914-35-5
- Product Code: SSC-167284
-
-
SODIUM HEPTONATE DIHYDRATE
- CAS RN: 58917-14-9
- Product Code: starshine_CAS58917-14-9
- Purity/Analytical method: >99.0%
