N-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C7H11N3O3 — CID 60701072

IUPACN-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCONC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C7H11N3O3/c1-10-6(11)4-3-5(8-10)7(12)9-13-2/h3-4H2,1-2H3,(H,9,12)
InChIKeyPBFJRZOXAFSIRQ-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.73
Rot. Bonds2

About N-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 60701072) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is N-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID60701072
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC NameN-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCONC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C7H11N3O3/c1-10-6(11)4-3-5(8-10)7(12)9-13-2/h3-4H2,1-2H3,(H,9,12)
InChIKeyPBFJRZOXAFSIRQ-UHFFFAOYSA-N
XLogP-0.73
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 60701072) is N-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CONC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is PBFJRZOXAFSIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-10-6(11)4-3-5(8-10)7(12)9-13-2/h3-4H2,1-2H3,(H,9,12).
What are the key properties of N-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 185.18 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 60701072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).