![CAS 17796-24-6 5,6,7,8-TETRAHYDROTETRAZOLO[1,5-A]PYRAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/17796-24-6.gif)
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 | Beijing | Inquiry |
17796-24-6 / 5,6,7,8-tetrahydrotetrazolo[1,5-a]pyrazine
Basic Information
CAS
17796-24-6
Multi CAS
No
Molecular Formula
C4H7N5
Molecular Weight
125.130000
Exact Mass
125.070145
SMILES
C1CN2C(=NN=N2)CN1
InChI
InChI=1S/C4H7N5/c1-2-9-4(3-5-1)6-7-8-9/h5H,1-3H2
InChIKey
IVNNWMBLXAZIAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.75
H-bond acceptors
5
H-bond donors
1
Molar refractivity
29.52
TPSA
55.63
LogP / Solubility
WLOGP
-1.22
MLOGP
-1.09
XLogP3
-1.3
Consensus LogP
-1.2
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
0.3
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.54
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)
-4.35
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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- CAS RN: 17803-12-2
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- Purity/Analytical method: >99.0%
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