![CAS 610276-38-5 (3-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl)amine(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/610276-38-5.gif)
CAS RN: 610276-38-5
(3-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl)amine(SALTDATA: FREE)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251017 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS610276-38-5
- Purity/Analytical Methods: >99.0%
610276-38-5 / 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
Basic Information
CAS
610276-38-5
Multi CAS
Yes
Molecular Formula
C9H12N4
Molecular Weight
176.220000
Exact Mass
176.106196
InChI
InChI=1S/C9H12N4/c10-6-3-5-9-12-11-8-4-1-2-7-13(8)9/h1-2,4,7H,3,5-6,10H2
InChIKey
RJLABOPWJFIVQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.36
TPSA
56.21
LogP / Solubility
WLOGP
0.62
MLOGP
0.54
XLogP3
0.9
Consensus LogP
0.69
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-3.35
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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