![CAS 40775-79-9 2-AMINO-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40775-79-9.gif)
CAS RN: 40775-79-9
2-AMINO-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL
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.20250614 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40775-79-9
- Purity/Analytical Methods: >99.0%
40775-79-9 / 2-amino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Basic Information
CAS
40775-79-9
Multi CAS
No
Molecular Formula
C6H7N5O
Molecular Weight
165.150000
Exact Mass
165.065060
InChI
InChI=1S/C6H7N5O/c1-3-2-4(12)11-6(8-3)9-5(7)10-11/h2H,1H3,(H3,7,8,9,10)
InChIKey
PQJWDADCCRTLQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
5
H-bond donors
2
Molar refractivity
42.76
TPSA
89.07
LogP / Solubility
WLOGP
-0.69
MLOGP
-0.61
XLogP3
-1.1
Consensus LogP
-0.8
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.16
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.22
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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