tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate

C11H18N4O2 — CID 115657296

IUPACtert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1cccnn1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)13-8-7-12-9-5-4-6-14-15-9/h4-6H,7-8H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyWDLZKGUIBRHKEY-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.41
Rot. Bonds4

About tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate

tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate (PubChem CID 115657296) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
PubChem CID115657296
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Nametert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1cccnn1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)13-8-7-12-9-5-4-6-14-15-9/h4-6H,7-8H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyWDLZKGUIBRHKEY-UHFFFAOYSA-N
XLogP1.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
CID 154772846
methyl 3-(pyridazin-3-ylamino)propanoate
CID 62482435
tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate
CID 115669050
tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
CID 115735888
tert-butyl N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]carbamate
CID 115695358
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182
tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate
CID 47453715
methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 103879996
tert-butyl N-[3-methyl-2-[(pyridazin-3-ylmethylamino)methyl]butyl]carbamate
CID 107442905
tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate
CID 19854428
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate (CID 115657296) is tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1cccnn1.
What is the InChIKey of tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate?
The InChIKey is WDLZKGUIBRHKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)13-8-7-12-9-5-4-6-14-15-9/h4-6H,7-8H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate?
tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate is sourced from PubChem (CID 115657296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).