![CAS 113967-74-1 2-(METHYLTHIO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/113967-74-1.gif)
CAS RN: 113967-74-1
2-(METHYLTHIO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250130 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS113967-74-1
- Purity/Analytical Methods: >99.0%
113967-74-1 / 2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | 2-(Methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | 2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Basic Information
CAS
113967-74-1
Multi CAS
No
Molecular Formula
C6H7N5S
Molecular Weight
181.220000
Exact Mass
181.042216
SMILES
CSC1=NN2C(=CC=NC2=N1)N
InChI
InChI=1S/C6H7N5S/c1-12-6-9-5-8-3-2-4(7)11(5)10-6/h2-3H,7H2,1H3
InChIKey
FGMSPURIYNZJKH-UHFFFAOYSA-N
Synonyms
2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
2-(Methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
MFCD00067819
2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
46.98
TPSA
69.1
LogP / Solubility
WLOGP
0.43
MLOGP
0.37
XLogP3
0.6
Consensus LogP
0.47
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-3.52
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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