![CAS 706757-05-3 4,5,6,7-Tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/706757-05-3.gif)
CAS RN: 706757-05-3
4,5,6,7-Tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine
- Product code: SSC-180404
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 | Shanghai | Inquiry |
706757-05-3 / 4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine
Basic Information
CAS
706757-05-3
Multi CAS
No
Molecular Formula
C5H8N4
Molecular Weight
124.140000
Exact Mass
124.074896
InChI
InChI=1S/C5H8N4/c1-2-6-3-5-4(1)7-9-8-5/h6H,1-3H2,(H,7,8,9)
InChIKey
GIIMNWTYRGWBNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
31.79
TPSA
53.6
LogP / Solubility
WLOGP
-0.55
MLOGP
-0.49
XLogP3
-0.9
Consensus LogP
-0.65
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.01
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.87
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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