N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C12H19N3O2 — CID 51075316

IUPACN-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H19N3O2/c1-5-15(8-9(2)3)12(17)10-6-7-11(16)14(4)13-10/h2,5-8H2,1,3-4H3
InChIKeyHDSNHOSPNMNGDX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.02
Rot. Bonds4

About N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 51075316) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID51075316
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H19N3O2/c1-5-15(8-9(2)3)12(17)10-6-7-11(16)14(4)13-10/h2,5-8H2,1,3-4H3
InChIKeyHDSNHOSPNMNGDX-UHFFFAOYSA-N
XLogP1.02
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.02
H-Bond Donors ≤ 50
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-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 51075316) is N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is C=C(C)CN(CC)C(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is HDSNHOSPNMNGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-15(8-9(2)3)12(17)10-6-7-11(16)14(4)13-10/h2,5-8H2,1,3-4H3.
What are the key properties of N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 51075316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).