[email protected]
CAS 19994-56-0 2-AMINO-3-CYANO-5-METHYLPYRAZINE 1-OXIDE molecular structure lightbox
CAS RN: 19994-56-0

2-AMINO-3-CYANO-5-METHYLPYRAZINE 1-OXIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260509 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19994-56-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

19994-56-0 / 4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile

Standard CAS: 19994-56-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19994-56-0
Multi CAS
No
Molecular Formula
C6H6N4O
Molecular Weight
150.140000
Exact Mass
150.054161
SMILES
CC1=CN(C(=N)C(=N1)C#N)O
InChI
InChI=1S/C6H6N4O/c1-4-3-10(11)6(8)5(2-7)9-4/h3,8,11H,1H3
InChIKey
LOUMHCRSPDRZLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
5
H-bond donors
2
Molar refractivity
34.72
TPSA
85.69

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.4
Consensus LogP
-0.27
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us