![CAS 1684425-51-1 3-amino-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB23963948.gif)
CAS RN: 1684425-51-1
3-amino-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260228 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1684425-51-1
- Purity/Analytical Methods: >99.0%
1684425-51-1 / 3-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
Basic Information
CAS
1684425-51-1
Multi CAS
No
Molecular Formula
C6H8N4O
Molecular Weight
152.150000
Exact Mass
152.069811
SMILES
C1CN2C(=C(C=N2)N)C(=O)N1
InChI
InChI=1S/C6H8N4O/c7-4-3-9-10-2-1-8-6(11)5(4)10/h3H,1-2,7H2,(H,8,11)
InChIKey
OQPWAHKPHINQSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.97
TPSA
72.94
LogP / Solubility
WLOGP
-0.79
MLOGP
-0.7
XLogP3
-0.6
Consensus LogP
-0.7
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.24
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.01
Class (SILICOS-IT)
Highly 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)
-4.21
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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