![CAS 1199215-75-2 2-{[6-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetra zin-3-yl]amino}-2-(hydroxymethyl)propane-1,3-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62557238.gif)
CAS RN: 1199215-75-2
2-{[6-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetra zin-3-yl]amino}-2-(hydroxymethyl)propane-1,3-diol
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.20250831 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1199215-75-2
- Purity/Analytical Methods: >99.0%
1199215-75-2 / 2-[[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
2-{[6-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1,2,4,5-TETRAZIN-3-YL]AMINO}-2-(HYDROXYMETHYL)PROPANE-1,3-DIOL | MFCD13248703 | 2-([6-(3,5-Dimethyl-1h-pyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]amino)-2-(hydroxymethyl)propane-1,3-diol
Basic Information
CAS
1199215-75-2
Multi CAS
No
Molecular Formula
C11H17N7O3
Molecular Weight
295.300000
Exact Mass
295.139287
SMILES
CC1=CC(=NN1C2=NN=C(N=N2)NC(CO)(CO)CO)C
InChI
InChI=1S/C11H17N7O3/c1-7-3-8(2)18(17-7)10-15-13-9(14-16-10)12-11(4-19,5-20)6-21/h3,19-21H,4-6H2,1-2H3,(H,12,13,14)
InChIKey
CBQGCPDUZWSTAO-UHFFFAOYSA-N
Synonyms
2-{[6-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1,2,4,5-TETRAZIN-3-YL]AMINO}-2-(HYDROXYMETHYL)PROPANE-1,3-DIOL
MFCD13248703
2-([6-(3,5-Dimethyl-1h-pyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]amino)-2-(hydroxymethyl)propane-1,3-diol
2-[[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
1,3-propanediol, 2-[[6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]amino]-2-(hydroxymethyl)-
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.55
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
4
Molar refractivity
71.83
TPSA
142.1
LogP / Solubility
WLOGP
-1.8
MLOGP
-1.58
XLogP3
-2.1
Consensus LogP
-1.83
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
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)
-5.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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