N-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H19N3O2 — CID 43397953

IUPACN-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCCCN(CC)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H19N3O2/c1-3-5-8-14(4-2)11(16)9-6-7-10(15)13-12-9/h3-8H2,1-2H3,(H,13,15)
InChIKeyNYQDMKSXLFLZET-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.90
Rot. Bonds5

About N-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43397953) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43397953
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCCCN(CC)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H19N3O2/c1-3-5-8-14(4-2)11(16)9-6-7-10(15)13-12-9/h3-8H2,1-2H3,(H,13,15)
InChIKeyNYQDMKSXLFLZET-UHFFFAOYSA-N
XLogP0.90
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43397953) is N-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CCCCN(CC)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is NYQDMKSXLFLZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-5-8-14(4-2)11(16)9-6-7-10(15)13-12-9/h3-8H2,1-2H3,(H,13,15).
What are the key properties of N-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43397953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).