CAS RN: 63598-71-0
1H-1,2,4-triazole
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250824 | 100g | In stock | Shanghai | Inquiry | |
| Batchno.20260508 | 10g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20251206 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20250526 | 1g / 5g / 10g / 25g / 100g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260622 | 25g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250127 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS63598-71-0
- Purity/Analytical Methods: >99.0%
63598-71-0 / 1H-1,2,4-triazole
Basic Information
CAS
63598-71-0
Multi CAS
Yes
Molecular Formula
C2H3N3
Molecular Weight
69.070000
Exact Mass
69.032697
InChI
InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
InChIKey
NSPMIYGKQJPBQR-UHFFFAOYSA-N
Physical Properties
Melting Point
120-121 °C
Boiling Point
260 °C (decomposes)
260 °C
Density
640 kg/m³
Physical Description
Other Solid; Dry Powder; Pellets or Large Crystals
Brown solid; [ICSC] White crystalline powder;
BROWN SOLID IN VARIOUS FORMS WITH CHARACTERISTIC ODOUR.
Appearance
Needles from benzene/ethanol
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
5
Aromatic heavy atom count
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
16.38
TPSA
41.57
LogP / Solubility
WLOGP
-0.2
MLOGP
-0.19
XLogP3
-0.6
Consensus LogP
-0.33
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
0.01
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.05
Class (SILICOS-IT)
Highly 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)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
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