![CAS 34102-76-6 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/34102-76-6(2).gif)
CAS RN: 34102-76-6
7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250531 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS34102-76-6
- Purity/Analytical Methods: >99.0%
34102-76-6 / 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Basic Information
CAS
34102-76-6
Multi CAS
Yes
Molecular Formula
C6H4N4O3
Molecular Weight
180.120000
Exact Mass
180.028340
InChI
InChI=1S/C6H4N4O3/c11-4-1-3(5(12)13)9-6-7-2-8-10(4)6/h1-2H,(H,12,13)(H,7,8,9)
InChIKey
FZEGQZXFYKTDOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
40.57
TPSA
100.35
LogP / Solubility
WLOGP
-0.88
MLOGP
-0.78
XLogP3
-1.1
Consensus LogP
-0.92
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.4
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
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)
-4.45
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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