ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate

C11H18N4O2 — CID 113044300

IUPACethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)(C)C)nn1
InChIInChI=1S/C11H18N4O2/c1-5-17-10(16)12-8-6-7-9(15-14-8)13-11(2,3)4/h6-7H,5H2,1-4H3,(H,13,15)(H,12,14,16)
InChIKeyZETUUDGGSYKWNT-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.26
Rot. Bonds3

About ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate

ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate (PubChem CID 113044300) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate
PubChem CID113044300
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Nameethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)(C)C)nn1
InChIInChI=1S/C11H18N4O2/c1-5-17-10(16)12-8-6-7-9(15-14-8)13-11(2,3)4/h6-7H,5H2,1-4H3,(H,13,15)(H,12,14,16)
InChIKeyZETUUDGGSYKWNT-UHFFFAOYSA-N
XLogP2.26
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate
CID 113046451
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate
CID 113045640
ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
CID 113032953
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate
CID 113050137
ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate
CID 113041308
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide
CID 113044304
ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043939
3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide
CID 113044253

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate?
The IUPAC name of ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate (CID 113044300) is ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate?
The canonical SMILES for ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate is CCOC(=O)Nc1ccc(NC(C)(C)C)nn1.
What is the InChIKey of ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate?
The InChIKey is ZETUUDGGSYKWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-5-17-10(16)12-8-6-7-9(15-14-8)13-11(2,3)4/h6-7H,5H2,1-4H3,(H,13,15)(H,12,14,16).
What are the key properties of ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate?
ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate has a molecular weight of 238.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate is sourced from PubChem (CID 113044300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).