![CAS 720706-28-5 (5-METHYL-2H-[1,2,4]TRIAZOL-3-YL)-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/720706-28-5.gif)
CAS RN: 720706-28-5
(5-METHYL-2H-[1,2,4]TRIAZOL-3-YL)-ACETIC ACID
- Product code: SSC-181606
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
720706-28-5 / 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid
Basic Information
CAS
720706-28-5
Multi CAS
No
Molecular Formula
C5H7N3O2
Molecular Weight
141.130000
Exact Mass
141.053826
InChI
InChI=1S/C5H7N3O2/c1-3-6-4(8-7-3)2-5(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)
InChIKey
RIRHAWIZPRZONH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
32.46
TPSA
78.87
LogP / Solubility
WLOGP
-0.26
MLOGP
-0.24
XLogP3
-0.1
Consensus LogP
-0.2
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
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)
-3.77
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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