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CAS 1028223-88-2 N-(pyridin-3-yl)pyrazin-2-amine molecular structure lightbox
CAS RN: 1028223-88-2

N-(pyridin-3-yl)pyrazin-2-amine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260425 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LINN914010
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1028223-88-2 / N-pyridin-3-ylpyrazin-2-amine

N-(pyridin-3-yl)pyrazin-2-amine | N-(3-Pyridyl)pyrazine-2-amine | N-pyridin-3-ylpyrazin-2-amine

Standard CAS: 1028223-88-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1028223-88-2
Multi CAS
No
Molecular Formula
C9H8N4
Molecular Weight
172.190000
Exact Mass
172.074896
SMILES
C1=CC(=CN=C1)NC2=NC=CN=C2
InChI
InChI=1S/C9H8N4/c1-2-8(6-10-3-1)13-9-7-11-4-5-12-9/h1-7H,(H,12,13)
InChIKey
LTMAYHWGGMYNMW-UHFFFAOYSA-N
Synonyms
N-(pyridin-3-yl)pyrazin-2-amine N-(3-Pyridyl)pyrazine-2-amine N-pyridin-3-ylpyrazin-2-amine N-(3-pyridyl)pyrazin-2-amine SCHEMBL18725641

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.55
TPSA
50.7

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
0.6
Consensus LogP
1.21
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

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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