![CAS 72966-19-9 5-METHYL-7-PHENYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1276765.gif)
CAS RN: 72966-19-9
5-METHYL-7-PHENYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YLAMINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250102 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS72966-19-9
- Purity/Analytical Methods: >99.0%
72966-19-9 / 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Basic Information
CAS
72966-19-9
Multi CAS
No
Molecular Formula
C12H11N5
Molecular Weight
225.250000
Exact Mass
225.101445
InChI
InChI=1S/C12H11N5/c1-8-7-10(9-5-3-2-4-6-9)17-12(14-8)15-11(13)16-17/h2-7H,1H3,(H2,13,16)
InChIKey
ZCOHGHCESYZASH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.37
TPSA
69.1
LogP / Solubility
WLOGP
1.68
MLOGP
1.48
XLogP3
1.8
Consensus LogP
1.65
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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