benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate

C16H16N4O2 — CID 67433032

IUPACbenzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1cn2ncccc2n1
InChIInChI=1S/C16H16N4O2/c1-12(14-10-20-15(19-14)8-5-9-17-20)18-16(21)22-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,18,21)
InChIKeyOXPMZNHWOACVMD-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.72
Rot. Bonds4

About benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate

benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate (PubChem CID 67433032) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate
PubChem CID67433032
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Namebenzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1cn2ncccc2n1
InChIInChI=1S/C16H16N4O2/c1-12(14-10-20-15(19-14)8-5-9-17-20)18-16(21)22-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,18,21)
InChIKeyOXPMZNHWOACVMD-UHFFFAOYSA-N
XLogP2.72
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate 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

benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate
CID 58796844
benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate
CID 58796860
benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate
CID 10804659
benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate
CID 67432906
benzyl N-[(1S)-1-(6-chloropyridazin-3-yl)ethyl]carbamate
CID 26370266
benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate
CID 102036194
3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 67432387
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
benzyl N-[(1S)-1-(1H-imidazol-5-yl)ethyl]carbamate
CID 102036199
methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 58459381
benzyl N-[(1S)-1-(2-bromophenyl)ethyl]carbamate
CID 130164899
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate?
The IUPAC name of benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate (CID 67433032) is benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate.
What is the SMILES notation for benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate?
The canonical SMILES for benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate is CC(NC(=O)OCc1ccccc1)c1cn2ncccc2n1.
What is the InChIKey of benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate?
The InChIKey is OXPMZNHWOACVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-12(14-10-20-15(19-14)8-5-9-17-20)18-16(21)22-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,18,21).
What are the key properties of benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate?
benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate has a molecular weight of 296.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate is sourced from PubChem (CID 67433032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).