CAS RN: 412278-71-8
1,2,4-Triazine-5-carboxylicacid,6-amino-(9CI)
- Product code: SSC-149640
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
412278-71-8 / 6-amino-1,2,4-triazine-5-carboxylic acid
Basic Information
CAS
412278-71-8
Multi CAS
No
Molecular Formula
C4H4N4O2
Molecular Weight
140.100000
Exact Mass
140.033425
InChI
InChI=1S/C4H4N4O2/c5-3-2(4(9)10)6-1-7-8-3/h1H,(H2,5,8)(H,9,10)
InChIKey
ANYNZUPMAFITPJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
31.2
TPSA
101.99
LogP / Solubility
WLOGP
-0.85
MLOGP
-0.75
XLogP3
-0.7
Consensus LogP
-0.77
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.01
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)
-4.18
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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