CAS RN: 1236162-31-4
3-AMino-6-(aMinoMethyl)-1,2,4-triazin-5(4H)-one Dihydrochloride
- Product code: SSC-027358
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, 0.25g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- 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 | Shanghai | Inquiry |
| 5g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 2 In Stock | Shenzhen | Inquiry |
1236162-31-4 / 3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;dihydrochloride
Basic Information
CAS
1236162-31-4
Multi CAS
No
Molecular Formula
C4H9Cl2N5O
Molecular Weight
214.050000
Exact Mass
213.018415
SMILES
C(C1=NN=C(NC1=O)N)N.Cl.Cl
InChI
InChI=1S/C4H7N5O.2ClH/c5-1-2-3(10)7-4(6)9-8-2;;/h1,5H2,(H3,6,7,9,10);2*1H
InChIKey
SXJUKKCZXYUJKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
49.45
TPSA
110.68
LogP / Solubility
WLOGP
-0.95
MLOGP
-0.83
XLogP3
-0.95
Consensus LogP
-0.91
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
Class (SILICOS-IT)
Very 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)
-4.7
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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