CAS RN: 1225062-23-6
3-AMINO-6-BROMOPYRAZINE-2-CARBOHYDRAZIDE
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS1225062-23-6
- Purity/Analytical Methods: >99.0%
1225062-23-6 / 3-amino-6-bromopyrazine-2-carbohydrazide
Basic Information
CAS
1225062-23-6
Multi CAS
No
Molecular Formula
C5H6BrN5O
Molecular Weight
232.040000
Exact Mass
230.975570
SMILES
C1=C(N=C(C(=N1)N)C(=O)NN)Br
InChI
InChI=1S/C5H6BrN5O/c6-2-1-9-4(7)3(10-2)5(12)11-8/h1H,8H2,(H2,7,9)(H,11,12)
InChIKey
QMHDHIQYBCUNPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
45.8
TPSA
106.92
LogP / Solubility
WLOGP
-0.58
MLOGP
-0.5
XLogP3
-0.1
Consensus LogP
-0.39
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.81
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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