tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate

C14H24N4O2 — CID 113044818

IUPACtert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate
SMILESCCCCN(C)c1ccc(NC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C14H24N4O2/c1-6-7-10-18(5)12-9-8-11(16-17-12)15-13(19)20-14(2,3)4/h8-9H,6-7,10H2,1-5H3,(H,15,16,19)
InChIKeyHHKKUMSMELADBB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.06
Rot. Bonds5

About tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate

tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate (PubChem CID 113044818) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate
PubChem CID113044818
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate
SMILESCCCCN(C)c1ccc(NC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C14H24N4O2/c1-6-7-10-18(5)12-9-8-11(16-17-12)15-13(19)20-14(2,3)4/h8-9H,6-7,10H2,1-5H3,(H,15,16,19)
InChIKeyHHKKUMSMELADBB-UHFFFAOYSA-N
XLogP3.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide
CID 113044823
N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide
CID 113044795
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate
CID 113046746
tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate
CID 113049625
tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate
CID 123908026
ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate
CID 113041308
tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate
CID 113015728
tert-butyl N-[6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyridazin-3-yl]carbamate
CID 126829098
tert-butyl N-[5-[[6-bromo-3-[[6-(dimethylamino)pyridazin-3-yl]carbamoyl]-2-pyridinyl]amino]pentyl]carbamate
CID 178071553
tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate
CID 18926411
methyl 4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazin-3-yl]amino]benzoate
CID 113049504

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate (CID 113044818) is tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate is CCCCN(C)c1ccc(NC(=O)OC(C)(C)C)nn1.
What is the InChIKey of tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate?
The InChIKey is HHKKUMSMELADBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-6-7-10-18(5)12-9-8-11(16-17-12)15-13(19)20-14(2,3)4/h8-9H,6-7,10H2,1-5H3,(H,15,16,19).
What are the key properties of tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate?
tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate is sourced from PubChem (CID 113044818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).