CAS RN: 104893-52-9
3-METHYLPYRAZINE-2-CARBOXAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250413 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS104893-52-9
- Purity/Analytical Methods: >99.0%
104893-52-9 / 3-methylpyrazine-2-carboxamide
3-METHYLPYRAZINE-2-CARBOXAMIDE | DTXSID90551839 | RefChem:281200
Basic Information
CAS
104893-52-9
Multi CAS
No
Molecular Formula
C6H7N3O
Molecular Weight
137.140000
Exact Mass
137.058912
SMILES
CC1=NC=CN=C1C(=O)N
InChI
InChI=1S/C6H7N3O/c1-4-5(6(7)10)9-3-2-8-4/h2-3H,1H3,(H2,7,10)
InChIKey
WJGJXEZJUDFRJG-UHFFFAOYSA-N
Synonyms
3-METHYLPYRAZINE-2-CARBOXAMIDE
DTXSID90551839
RefChem:281200
DTXCID70502622
methylpyrazinamide
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.29
TPSA
68.87
LogP / Solubility
WLOGP
-0.12
MLOGP
-0.11
XLogP3
-0.6
Consensus LogP
-0.28
Log S (ESOL)
-1
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
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)
-3.64
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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![CAS 104901-05-5 [2S,(-)]-2β-(3-Furanyl)-6β-(β-D-glucopyranosyloxy)-1,4,4aα,5,6,6a,9,10,10aα,10b-decahydro-9α-hydroxy-6aα,10bβ-dimethyl-4-oxo-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/104901-05-5.gif)
