N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine

C14H11ClN8O — CID 133295546

IUPACN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESClc1ccc(-c2noc(CCNc3ccc4nnnn4n3)n2)cc1
InChIInChI=1S/C14H11ClN8O/c15-10-3-1-9(2-4-10)14-17-13(24-20-14)7-8-16-11-5-6-12-18-21-22-23(12)19-11/h1-6H,7-8H2,(H,16,19)
InChIKeyREMWJIZDTTWTMG-UHFFFAOYSA-N
MW342.75 g/mol
LogP1.88
Rot. Bonds5

About N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133295546) has the molecular formula C14H11ClN8O and a molecular weight of 342.75 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133295546
Molecular FormulaC14H11ClN8O
Molecular Weight342.75 g/mol
Exact Mass342.07
IUPAC NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESClc1ccc(-c2noc(CCNc3ccc4nnnn4n3)n2)cc1
InChIInChI=1S/C14H11ClN8O/c15-10-3-1-9(2-4-10)14-17-13(24-20-14)7-8-16-11-5-6-12-18-21-22-23(12)19-11/h1-6H,7-8H2,(H,16,19)
InChIKeyREMWJIZDTTWTMG-UHFFFAOYSA-N
XLogP1.88
TPSA106.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-nitropyridin-2-amine
CID 133295463
4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 51064630
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine
CID 133295543
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
1-tert-butyl-2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]guanidine
CID 111809572
2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]guanidine
CID 111111928
1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol
CID 42947574
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 111809531
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(cyclobutylmethyl)guanidine
CID 111809570
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]ethanamine
CID 166235155
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-methylpropyl)guanidine
CID 111809518
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111111918

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 133295546) is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine is Clc1ccc(-c2noc(CCNc3ccc4nnnn4n3)n2)cc1.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is REMWJIZDTTWTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN8O/c15-10-3-1-9(2-4-10)14-17-13(24-20-14)7-8-16-11-5-6-12-18-21-22-23(12)19-11/h1-6H,7-8H2,(H,16,19).
What are the key properties of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 342.75 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133295546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).