tert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate

C12H19N3O4 — CID 162363860

IUPACtert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate
SMILESCOCCn1nc(NC(=O)OC(C)(C)C)ccc1=O
InChIInChI=1S/C12H19N3O4/c1-12(2,3)19-11(17)13-9-5-6-10(16)15(14-9)7-8-18-4/h5-6H,7-8H2,1-4H3,(H,13,14,17)
InChIKeyMDARRYCEWMSFCK-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.24
Rot. Bonds4

About tert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate

tert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate (PubChem CID 162363860) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is tert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate
PubChem CID162363860
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nametert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate
SMILESCOCCn1nc(NC(=O)OC(C)(C)C)ccc1=O
InChIInChI=1S/C12H19N3O4/c1-12(2,3)19-11(17)13-9-5-6-10(16)15(14-9)7-8-18-4/h5-6H,7-8H2,1-4H3,(H,13,14,17)
InChIKeyMDARRYCEWMSFCK-UHFFFAOYSA-N
XLogP1.24
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65112591
1-(2-methoxyethyl)-N-(4-methylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 31796636
3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid
CID 82442528
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82442478
N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103945933
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 35019256
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]oxyacetic acid
CID 63930762
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate (CID 162363860) is tert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate is COCCn1nc(NC(=O)OC(C)(C)C)ccc1=O.
What is the InChIKey of tert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate?
The InChIKey is MDARRYCEWMSFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(2,3)19-11(17)13-9-5-6-10(16)15(14-9)7-8-18-4/h5-6H,7-8H2,1-4H3,(H,13,14,17).
What are the key properties of tert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate?
tert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate has a molecular weight of 269.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate is sourced from PubChem (CID 162363860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).