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CAS 120739-79-9 METHYL-PYRAZIN-2-YLMETHYL-AMINE molecular structure lightbox
CAS RN: 120739-79-9

METHYL-PYRAZIN-2-YLMETHYL-AMINE

  • Product code: SSC-021947
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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 120739-79-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

120739-79-9 / N-methyl-1-pyrazin-2-ylmethanamine

N,N-dimethylpyrazin-2-amine | Ampyzine | N,N-Dimethyl-2-pyrazinamine

Standard CAS: 120739-79-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
120739-79-9
Multi CAS
Yes
Molecular Formula
C6H9N3
Molecular Weight
123.160000
Exact Mass
123.079647
SMILES
CNCC1=NC=CN=C1
InChI
InChI=1S/C6H9N3/c1-7-4-6-5-8-2-3-9-6/h2-3,5,7H,4H2,1H3
InChIKey
LPLXKLMQYQPDPA-UHFFFAOYSA-N
Synonyms
N,N-dimethylpyrazin-2-amine Ampyzine N,N-Dimethyl-2-pyrazinamine Ampyzine [INN] 630GTK993N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.8
TPSA
37.81

LogP / Solubility

WLOGP
0.2
MLOGP
0.16
XLogP3
-0.8
Consensus LogP
-0.15
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-0.71
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)
-3.33

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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