CAS RN: 1312782-34-5
Methanone, 1-pyrrolidinyl-1H-1,2,3-triazol-1-yl-
Product Availability
Choose a grade to view its available package options.
16 package records16 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260602 | 1mg / 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251204 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260602 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260629 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250125 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250307 | 1mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20260511 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251021 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250407 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260617 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1312782-34-5
- Purity/Analytical Methods: >99.0%
1312782-34-5 / pyrrolidin-1-yl(triazol-1-yl)methanone
Basic Information
CAS
1312782-34-5
Multi CAS
No
Molecular Formula
C7H10N4O
Molecular Weight
166.180000
Exact Mass
166.085461
SMILES
C1CCN(C1)C(=O)N2C=CN=N2
InChI
InChI=1S/C7H10N4O/c12-7(10-4-1-2-5-10)11-6-3-8-9-11/h3,6H,1-2,4-5H2
InChIKey
IFXGAMVQLDJRBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
4
Molar refractivity
41.62
TPSA
51.02
LogP / Solubility
WLOGP
0.34
MLOGP
0.3
XLogP3
0.1
Consensus LogP
0.25
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.02
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)
-3.49
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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