CAS RN: 176032-78-3
3-(1H-1,2,4-TRIAZOL-1-YL)ANILINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250617 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-077167
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 1g, 5g, 10g, 25g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 25g | ≥95% | 4 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shanghai | Inquiry |
176032-78-3 / 3-(1,2,4-triazol-1-yl)aniline
Basic Information
CAS
176032-78-3
Multi CAS
No
Molecular Formula
C8H8N4
Molecular Weight
160.180000
Exact Mass
160.074896
SMILES
C1=CC(=CC(=C1)N2C=NC=N2)N
InChI
InChI=1S/C8H8N4/c9-7-2-1-3-8(4-7)12-6-10-5-11-12/h1-6H,9H2
InChIKey
QOHJDIAWBVPZFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.77
TPSA
56.73
LogP / Solubility
WLOGP
0.85
MLOGP
0.74
XLogP3
1
Consensus LogP
0.86
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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