![CAS 127661-01-2 N,N-Bis[1(2)H-tetrazol-5-yl]amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/127661-01-2.gif)
CAS RN: 127661-01-2
N,N-Bis[1(2)H-tetrazol-5-yl]amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260114 | 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS127661-01-2
- Purity/Analytical Methods: >99.0%
127661-01-2 / N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine
Basic Information
CAS
127661-01-2
Multi CAS
No
Molecular Formula
C2H3N9
Molecular Weight
153.110000
Exact Mass
153.051141
SMILES
C1(=NNN=N1)NC2=NNN=N2
InChI
InChI=1S/C2H3N9/c3(1-4-8-9-5-1)2-6-10-11-7-2/h(H3,3,4,5,6,7,8,9,10,11)
InChIKey
RVXHYSAOMMVOCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
3
Molar refractivity
31.64
TPSA
120.95
LogP / Solubility
WLOGP
-1.54
MLOGP
-1.36
XLogP3
-0.8
Consensus LogP
-1.23
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
0.3
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.39
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)
-4.75
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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