CAS RN: 38104-45-9
4H-1,2,4-Triazole-3,4-diamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260102 | 100mg / 250mg / 1g | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS38104-45-9
- Purity/Analytical Methods: >99.0%
38104-45-9 / 1,2,4-triazole-3,4-diamine
Basic Information
CAS
38104-45-9
Multi CAS
Yes
Molecular Formula
C2H5N5
Molecular Weight
99.100000
Exact Mass
99.054495
InChI
InChI=1S/C2H5N5/c3-2-6-5-1-7(2)4/h1H,4H2,(H2,3,6)
InChIKey
VVICLQXCPOEFTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
24.58
TPSA
82.75
LogP / Solubility
WLOGP
-1.43
MLOGP
-1.27
XLogP3
-1.2
Consensus LogP
-1.3
Log S (ESOL)
-0.08
Class (ESOL)
Very soluble
Log S (Ali)
0.66
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.88
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)
-4.34
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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