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CAS 1003561-82-7 2-PYRROLIDIN-3-YL-PYRAZINE HCL molecular structure lightbox
CAS RN: 1003561-82-7

2-PYRROLIDIN-3-YL-PYRAZINE HCL

  • Product code: SSC-000860
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1003561-82-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1003561-82-7 / 2-pyrrolidin-3-ylpyrazine;hydrochloride

2-(Pyrrolidin-3-yl)pyrazine hydrochloride | 2-pyrrolidin-3-ylpyrazine;hydrochloride | 2-Pyrrolidin-3-yl-pyrazine,HCl

Standard CAS: 1003561-82-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1003561-82-7
Multi CAS
Yes
Molecular Formula
C8H12ClN3
Molecular Weight
185.650000
Exact Mass
185.071975
SMILES
C1CNCC1C2=NC=CN=C2.Cl
InChI
InChI=1S/C8H11N3.ClH/c1-2-9-5-7(1)8-6-10-3-4-11-8;/h3-4,6-7,9H,1-2,5H2;1H
InChIKey
PRVWKZRBPCTYBN-UHFFFAOYSA-N
Synonyms
2-(Pyrrolidin-3-yl)pyrazine hydrochloride 2-pyrrolidin-3-ylpyrazine;hydrochloride 2-Pyrrolidin-3-yl-pyrazine,HCl AR1451 DTXSID10857406

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.51
TPSA
37.81

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
0.98
Consensus LogP
0.94
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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