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CAS RN: 304655-78-5
3-AMINO-1,2,4-TRIAZOLE-5-CARBOXYLIC ACID HEMIHYDRATE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251110 | 50g / 250g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS304655-78-5
- Purity/Analytical Methods: >99.0%
304655-78-5 / 3-amino-1H-1,2,4-triazole-5-carboxylic acid;hydrate
Basic Information
CAS
304655-78-5
Multi CAS
Yes
Molecular Formula
C3H6N4O3
Molecular Weight
146.110000
Exact Mass
146.043990
InChI
InChI=1S/C3H4N4O2.H2O/c4-3-5-1(2(8)9)6-7-3;/h(H,8,9)(H3,4,5,6,7);1H2
InChIKey
AGJCUQSNRFXRDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
31.37
TPSA
136.39
LogP / Solubility
WLOGP
-1.74
MLOGP
-1.54
XLogP3
-1.74
Consensus LogP
-1.67
Log S (ESOL)
0.05
Class (ESOL)
Highly soluble
Log S (Ali)
0.5
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.71
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)
-4.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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