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CAS 1339179-12-2 5-(methylamino)pyrazine-2-carboxylic acid molecular structure lightbox
CAS RN: 1339179-12-2

5-(methylamino)pyrazine-2-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251008 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1339179-12-2
  • Purity/Analytical Methods: >99.0%
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1339179-12-2 / 5-(methylamino)pyrazine-2-carboxylic acid

Standard CAS: 1339179-12-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1339179-12-2
Multi CAS
No
Molecular Formula
C6H7N3O2
Molecular Weight
153.140000
Exact Mass
153.053826
SMILES
CNC1=NC=C(N=C1)C(=O)O
InChI
InChI=1S/C6H7N3O2/c1-7-5-3-8-4(2-9-5)6(10)11/h2-3H,1H3,(H,7,9)(H,10,11)
InChIKey
VXNLGXWAVJKURT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.54
TPSA
75.11

LogP / Solubility

WLOGP
0.22
MLOGP
0.18
Consensus LogP
0.13
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.08
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)
-3.5

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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