N-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide

C10H15N3O2 — CID 78983157

IUPACN-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=CCN(CC)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H15N3O2/c1-3-7-13(4-2)10(15)8-5-6-9(14)12-11-8/h3H,1,4-7H2,2H3,(H,12,14)
InChIKeyLCUKCXQZUOPISI-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.29
Rot. Bonds4

About N-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide

N-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 78983157) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID78983157
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=CCN(CC)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H15N3O2/c1-3-7-13(4-2)10(15)8-5-6-9(14)12-11-8/h3H,1,4-7H2,2H3,(H,12,14)
InChIKeyLCUKCXQZUOPISI-UHFFFAOYSA-N
XLogP0.29
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 78983157) is N-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide is C=CCN(CC)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is LCUKCXQZUOPISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-7-13(4-2)10(15)8-5-6-9(14)12-11-8/h3H,1,4-7H2,2H3,(H,12,14).
What are the key properties of N-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 78983157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).