![CAS 65267-47-2 6-Methyl-[1,2,4]triazolo[4,3-a]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/65267-47-2.gif)
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
65267-47-2 / 6-methyl-[1,2,4]triazolo[4,3-a]pyrimidine
Basic Information
CAS
65267-47-2
Multi CAS
No
Molecular Formula
C6H6N4
Molecular Weight
134.140000
Exact Mass
134.059246
InChI
InChI=1S/C6H6N4/c1-5-2-7-6-9-8-4-10(6)3-5/h2-4H,1H3
InChIKey
XGURBWVYOBTWHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
Molar refractivity
35.52
TPSA
43.08
LogP / Solubility
WLOGP
0.43
MLOGP
0.37
XLogP3
0.9
Consensus LogP
0.57
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very 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)
-3.23
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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