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CAS 17890-82-3 2-Amino-3-cyano-5-methylpyrazine molecular structure lightbox
CAS RN: 17890-82-3

2-Amino-3-cyano-5-methylpyrazine

  • Product code: SSC-079684
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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 17890-82-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

17890-82-3 / 3-amino-6-methylpyrazine-2-carbonitrile

Standard CAS: 17890-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17890-82-3
Multi CAS
No
Molecular Formula
C6H6N4
Molecular Weight
134.140000
Exact Mass
134.059246
SMILES
CC1=CN=C(C(=N1)C#N)N
InChI
InChI=1S/C6H6N4/c1-4-3-9-6(8)5(2-7)10-4/h3H,1H3,(H2,8,9)
InChIKey
LURGZVKKNLPCSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
4
H-bond donors
1
Molar refractivity
35.9
TPSA
75.59

LogP / Solubility

WLOGP
0.24
MLOGP
0.2
XLogP3
0.4
Consensus LogP
0.28
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
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)
-3.37

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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