[email protected]
CAS 124784-76-5 Pyrazin-2-ol molecular structure lightbox
CAS RN: 124784-76-5

Pyrazin-2-ol

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: LINP900124
GET A QUOTE

124784-76-5 / 1H-pyrazin-2-one

Standard CAS: 124784-76-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
124784-76-5
Multi CAS
No
Molecular Formula
C4H4N2O
Molecular Weight
96.090000
Exact Mass
96.032363
SMILES
C1=CN=CC(=O)N1
InChI
InChI=1S/C4H4N2O/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)
InChIKey
HUTNOYOBQPAKIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
24.86
TPSA
45.75

LogP / Solubility

WLOGP
-0.23
MLOGP
-0.21
XLogP3
-1.5
Consensus LogP
-0.65
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.09
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)
-3.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (95.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us