[email protected]
CAS 22819-10-9 5,5′-Diamino-3,3′-bis-1,2,4-triazole molecular structure lightbox
CAS RN: 22819-10-9

5,5′-Diamino-3,3′-bis-1,2,4-triazole

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260119 100mg In stock Shanghai Inquiry
Batchno.20250602 1g In stock Shanghai Inquiry
Batchno.20251119 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251001 5g Out of stock Inquiry
  • Product code: starshine_CAS22819-10-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

22819-10-9 / 5-(3-amino-1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine

Standard CAS: 22819-10-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22819-10-9
Multi CAS
No
Molecular Formula
C4H6N8
Molecular Weight
166.150000
Exact Mass
166.071542
SMILES
C1(=NC(=NN1)N)C2=NC(=NN2)N
InChI
InChI=1S/C4H6N8/c5-3-7-1(9-11-3)2-8-4(6)12-10-2/h(H3,5,7,9,11)(H3,6,8,10,12)
InChIKey
SHHKWIJFVUHKCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
4
Molar refractivity
40.58
TPSA
135.18

LogP / Solubility

WLOGP
-1.25
MLOGP
-1.1
XLogP3
-0.9
Consensus LogP
-1.08
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.02
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.17
Class (SILICOS-IT)
Highly 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)
-4.62

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us