CAS RN: 1822779-45-2
2-amino-2-(pyrazin-2-yl)propanenitrile(WXC09804)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250213 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1822779-45-2
- Purity/Analytical Methods: >99.0%
1822779-45-2 / 2-amino-2-pyrazin-2-ylpropanenitrile
Basic Information
CAS
1822779-45-2
Multi CAS
No
Molecular Formula
C7H8N4
Molecular Weight
148.170000
Exact Mass
148.074896
SMILES
CC(C#N)(C1=NC=CN=C1)N
InChI
InChI=1S/C7H8N4/c1-7(9,5-8)6-4-10-2-3-11-6/h2-4H,9H2,1H3
InChIKey
UXJUJUUTDHDYCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.18
TPSA
75.59
LogP / Solubility
WLOGP
0.17
MLOGP
0.15
XLogP3
-1.1
Consensus LogP
-0.26
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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