CAS RN: 202403-45-0
1H-1,2,4-Triazol-3-amine,5-(1,1-dimethylethyl)-(9CI)
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-095349
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
202403-45-0 / 5-tert-butyl-1H-1,2,4-triazol-3-amine
Basic Information
CAS
202403-45-0
Multi CAS
No
Molecular Formula
C6H12N4
Molecular Weight
140.190000
Exact Mass
140.106196
SMILES
CC(C)(C)C1=NC(=NN1)N
InChI
InChI=1S/C6H12N4/c1-6(2,3)4-8-5(7)10-9-4/h1-3H3,(H3,7,8,9,10)
InChIKey
WJYHYRWRTPOGSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.5
TPSA
67.59
LogP / Solubility
WLOGP
0.68
MLOGP
0.6
XLogP3
1.3
Consensus LogP
0.86
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-3.09
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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