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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).