![CAS 1187830-58-5 Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187830-58-5.gif)
CAS RN: 1187830-58-5
Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate hydrochloride
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.20250421 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1187830-58-5
- Purity/Analytical Methods: >99.0%
1187830-58-5 / ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;hydrochloride
ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate hydrochloride | Ethyl 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate hydrochloride | MFCD09259960
Basic Information
CAS
1187830-58-5
Multi CAS
No
Molecular Formula
C8H13ClN4O2
Molecular Weight
232.670000
Exact Mass
232.072703
SMILES
CCOC(=O)C1=NN=C2N1CCNC2.Cl
InChI
InChI=1S/C8H12N4O2.ClH/c1-2-14-8(13)7-11-10-6-5-9-3-4-12(6)7;/h9H,2-5H2,1H3;1H
InChIKey
WRWXUFNXPWYDFN-UHFFFAOYSA-N
Synonyms
ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate hydrochloride
Ethyl 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate hydrochloride
MFCD09259960
Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate HCl
ethyl 5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
54.93
TPSA
69.04
LogP / Solubility
WLOGP
-0.02
MLOGP
-0.01
XLogP3
-0.02
Consensus LogP
-0.02
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-4.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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