N,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H19N3O4 — CID 43397884

IUPACN,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H19N3O4/c1-17-7-5-14(6-8-18-2)11(16)9-3-4-10(15)13-12-9/h3-8H2,1-2H3,(H,13,15)
InChIKeyLLJOIUWMTWTHAU-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.63
Rot. Bonds7

About N,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43397884) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43397884
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC NameN,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H19N3O4/c1-17-7-5-14(6-8-18-2)11(16)9-3-4-10(15)13-12-9/h3-8H2,1-2H3,(H,13,15)
InChIKeyLLJOIUWMTWTHAU-UHFFFAOYSA-N
XLogP-0.63
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43397884) is N,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is COCCN(CCOC)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is LLJOIUWMTWTHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-17-7-5-14(6-8-18-2)11(16)9-3-4-10(15)13-12-9/h3-8H2,1-2H3,(H,13,15).
What are the key properties of N,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of -0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43397884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).