![CAS 134881-51-9 5H-Pyrrolo[1,2-a]imidazole-3-carbonitrile,2-amino-6,7-dihydro-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/134881-51-9.gif)
CAS RN: 134881-51-9
5H-Pyrrolo[1,2-a]imidazole-3-carbonitrile,2-amino-6,7-dihydro-(9CI)
- Product code: SSC-042730
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 |
134881-51-9 / 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carbonitrile
Basic Information
CAS
134881-51-9
Multi CAS
No
Molecular Formula
C7H8N4
Molecular Weight
148.170000
Exact Mass
148.074896
SMILES
C1CC2=NC(=C(N2C1)C#N)N
InChI
InChI=1S/C7H8N4/c8-4-5-7(9)10-6-2-1-3-11(5)6/h1-3,9H2
InChIKey
VHWJRWLIACERSE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.43
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.68
TPSA
67.63
LogP / Solubility
WLOGP
0.28
MLOGP
0.24
XLogP3
0.6
Consensus LogP
0.37
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
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)
-3.42
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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