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CAS 1159819-85-8 5-(3-Pyridyl)-2-hydroxypyrazine molecular structure lightbox
CAS RN: 1159819-85-8

5-(3-Pyridyl)-2-hydroxypyrazine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250708 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1159819-85-8
  • Purity/Analytical Methods: >99.0%
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1159819-85-8 / 5-pyridin-3-yl-1H-pyrazin-2-one

5-(PYRIDIN-3-YL)PYRAZIN-2-OL | 5-(Pyridin-3-yl)pyrazin-2(1H)-one | 5-(3-pyridyl)-2-hydroxypyrazine

Standard CAS: 1159819-85-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159819-85-8
Multi CAS
No
Molecular Formula
C9H7N3O
Molecular Weight
173.170000
Exact Mass
173.058912
SMILES
C1=CC(=CN=C1)C2=CNC(=O)C=N2
InChI
InChI=1S/C9H7N3O/c13-9-6-11-8(5-12-9)7-2-1-3-10-4-7/h1-6H,(H,12,13)
InChIKey
ZWFCNLFOOSPVLG-UHFFFAOYSA-N
Synonyms
5-(PYRIDIN-3-YL)PYRAZIN-2-OL 5-(Pyridin-3-yl)pyrazin-2(1H)-one 5-(3-pyridyl)-2-hydroxypyrazine DTXSID401301097 5-(3-pyridyl)-1H-pyrazin-2-one

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.09
TPSA
58.64

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
-0.1
Consensus LogP
0.49
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.19

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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