CAS RN: 940959-28-4

5-HYDRAZINYLPICOLINONITRILEHCl

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Batchno.20251106 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS940959-28-4
  • Purity/Analytical Methods: >99.0%
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940959-28-4 / 5-hydrazinylpyridine-2-carbonitrile

Standard CAS: 940959-28-4 Multi CAS: Yes

Basic Information

CAS
940959-28-4
Multi CAS
Yes
Molecular Formula
C6H6N4
Molecular Weight
134.140000
Exact Mass
134.059246
InChI
InChI=1S/C6H6N4/c7-3-5-1-2-6(10-8)4-9-5/h1-2,4,10H,8H2
InChIKey
LUAXCADPBGMDTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.76
TPSA
74.73

LogP / Solubility

WLOGP
0.24
MLOGP
0.2
XLogP3
0.1
Consensus LogP
0.18
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
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)
-3.37

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

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