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CAS 4329-78-6 3,5-dipyridyl-1,2,4-triazole molecular structure lightbox
CAS RN: 4329-78-6

3,5-dipyridyl-1,2,4-triazole

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251006 100mg In stock Shanghai Inquiry
Batchno.20250907 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250302 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260522 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250505 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: LIND887289
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4329-78-6 / 4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine

Standard CAS: 4329-78-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4329-78-6
Multi CAS
No
Molecular Formula
C12H9N5
Molecular Weight
223.230000
Exact Mass
223.085795
InChI
InChI=1S/C12H9N5/c1-5-13-6-2-9(1)11-15-12(17-16-11)10-3-7-14-8-4-10/h1-8H,(H,15,16,17)
InChIKey
QUKGHTHKDNHSOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.84
TPSA
67.35

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.2
Consensus LogP
1.61
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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