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CAS 16227-15-9 4,4′-Bi-4H-1,2,4-triazole molecular structure lightbox
CAS RN: 16227-15-9

4,4′-Bi-4H-1,2,4-triazole

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250714 1g In stock Shanghai Inquiry
Batchno.20250329 250mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS16227-15-9
  • Purity/Analytical Methods: >99.0%
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16227-15-9 / 4-(1,2,4-triazol-4-yl)-1,2,4-triazole

Standard CAS: 16227-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16227-15-9
Multi CAS
No
Molecular Formula
C4H4N6
Molecular Weight
136.120000
Exact Mass
136.049744
SMILES
C1=NN=CN1N2C=NN=C2
InChI
InChI=1S/C4H4N6/c1-5-6-2-9(1)10-3-7-8-4-10/h1-4H
InChIKey
RDYNPUWAAJSGIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
30.84
TPSA
61.42

LogP / Solubility

WLOGP
-0.82
MLOGP
-0.73
XLogP3
-1
Consensus LogP
-0.85
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.08
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.02
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.13

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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