![CAS 923156-44-9 6,7-DIHYDROPYRROLO[2,1-C][1,2,4]TRIAZOLE-3-METHYLAMINE HCL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/923156-44-9.gif)
CAS RN: 923156-44-9
6,7-DIHYDROPYRROLO[2,1-C][1,2,4]TRIAZOLE-3-METHYLAMINE HCL
- Product code: SSC-205908
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: 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
923156-44-9 / 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanamine
Basic Information
CAS
923156-44-9
Multi CAS
Yes
Molecular Formula
C6H10N4
Molecular Weight
138.170000
Exact Mass
138.090546
InChI
InChI=1S/C6H10N4/c7-4-6-9-8-5-2-1-3-10(5)6/h1-4,7H2
InChIKey
URJJLLGHIBAONS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.23
TPSA
56.73
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.29
XLogP3
-1.3
Consensus LogP
-0.64
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-0.46
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
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)
-3.79
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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