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CAS 25108-33-2 1-ETHYL-1H-TETRAZOLE molecular structure lightbox
CAS RN: 25108-33-2

1-ETHYL-1H-TETRAZOLE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251123 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS25108-33-2
  • Purity/Analytical Methods: >99.0%
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25108-33-2 / 1-ethyltetrazole

Standard CAS: 25108-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25108-33-2
Multi CAS
No
Molecular Formula
C3H6N4
Molecular Weight
98.110000
Exact Mass
98.059246
SMILES
CCN1C=NN=N1
InChI
InChI=1S/C3H6N4/c1-2-7-3-4-5-6-7/h3H,2H2,1H3
InChIKey
PZDFYVBXRWSAON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
23.49
TPSA
43.6

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.28
XLogP3
0.1
Consensus LogP
-0.16
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.16
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)
-3.54

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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