tert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate

C15H26N4O4 — CID 103220950

IUPACtert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate
SMILESCOC(C)Cn1ncc(NCCNC(=O)OC(C)(C)C)cc1=O
InChIInChI=1S/C15H26N4O4/c1-11(22-5)10-19-13(20)8-12(9-18-19)16-6-7-17-14(21)23-15(2,3)4/h8-9,11,16H,6-7,10H2,1-5H3,(H,17,21)
InChIKeyGOTDDTSNCMGSIF-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.21
Rot. Bonds7

About tert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate

tert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate (PubChem CID 103220950) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate
PubChem CID103220950
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Nametert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate
SMILESCOC(C)Cn1ncc(NCCNC(=O)OC(C)(C)C)cc1=O
InChIInChI=1S/C15H26N4O4/c1-11(22-5)10-19-13(20)8-12(9-18-19)16-6-7-17-14(21)23-15(2,3)4/h8-9,11,16H,6-7,10H2,1-5H3,(H,17,21)
InChIKeyGOTDDTSNCMGSIF-UHFFFAOYSA-N
XLogP1.21
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 103223530
5-amino-2-(2-methoxypropyl)pyridazin-3-one
CID 103218443
tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate
CID 115735732
5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103221159
tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate
CID 115606254
methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate
CID 141413882
tert-butyl N-(3-methoxybutyl)carbamate
CID 126989537
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562
tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate
CID 115671145
tert-butyl N-[2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate
CID 104933125
N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223655
tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate
CID 115607353

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate (CID 103220950) is tert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate is COC(C)Cn1ncc(NCCNC(=O)OC(C)(C)C)cc1=O.
What is the InChIKey of tert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate?
The InChIKey is GOTDDTSNCMGSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-11(22-5)10-19-13(20)8-12(9-18-19)16-6-7-17-14(21)23-15(2,3)4/h8-9,11,16H,6-7,10H2,1-5H3,(H,17,21).
What are the key properties of tert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate?
tert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate is sourced from PubChem (CID 103220950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).