N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide

C12H19N3O3 — CID 79387642

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H19N3O3/c1-5-15(8-12(2,3)18)11(17)9-6-7-10(16)14(4)13-9/h6-7,18H,5,8H2,1-4H3
InChIKeyVTQMOJGVCHTCFZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.01
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 79387642) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID79387642
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H19N3O3/c1-5-15(8-12(2,3)18)11(17)9-6-7-10(16)14(4)13-9/h6-7,18H,5,8H2,1-4H3
InChIKeyVTQMOJGVCHTCFZ-UHFFFAOYSA-N
XLogP0.01
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 79387642) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide is CCN(CC(C)(C)O)C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is VTQMOJGVCHTCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-15(8-12(2,3)18)11(17)9-6-7-10(16)14(4)13-9/h6-7,18H,5,8H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 79387642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).