![CAS 937049-27-9 4-AMinopyrrolo[1,2-f][1,2,4]triazine-6-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/937049-27-9.gif)
CAS RN: 937049-27-9
4-AMinopyrrolo[1,2-f][1,2,4]triazine-6-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.20251225 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS937049-27-9
- Purity/Analytical Methods: >99.0%
937049-27-9 / 4-aminopyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile
Basic Information
CAS
937049-27-9
Multi CAS
No
Molecular Formula
C7H5N5
Molecular Weight
159.150000
Exact Mass
159.054495
InChI
InChI=1S/C7H5N5/c8-2-5-1-6-7(9)10-4-11-12(6)3-5/h1,3-4H,(H2,9,10,11)
InChIKey
YCOWMCJDHVVWKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
42.11
TPSA
80
LogP / Solubility
WLOGP
0.18
MLOGP
0.16
XLogP3
-0.2
Consensus LogP
0.05
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-3.56
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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