CAS RN: 160017-00-5
6-(IsopropylaMino)pyridine-3-carbonitrile
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.20250802 | 5g / 25g / 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS160017-00-5
- Purity/Analytical Methods: >99.0%
160017-00-5 / 6-(propan-2-ylamino)pyridine-3-carbonitrile
Basic Information
CAS
160017-00-5
Multi CAS
No
Molecular Formula
C9H11N3
Molecular Weight
161.200000
Exact Mass
161.095297
SMILES
CC(C)NC1=NC=C(C=C1)C#N
InChI
InChI=1S/C9H11N3/c1-7(2)12-9-4-3-8(5-10)6-11-9/h3-4,6-7H,1-2H3,(H,11,12)
InChIKey
RADFWCOXMVHXNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.71
TPSA
48.71
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.7
Consensus LogP
1.68
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-2.44
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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