N-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C9H15N3O3 — CID 115410093

IUPACN-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)CONC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H15N3O3/c1-6(2)5-15-12-9(14)7-3-4-8(13)11-10-7/h6H,3-5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyZWRMVHSEJYTRIS-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.04
Rot. Bonds4

About N-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 115410093) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID115410093
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)CONC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H15N3O3/c1-6(2)5-15-12-9(14)7-3-4-8(13)11-10-7/h6H,3-5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyZWRMVHSEJYTRIS-UHFFFAOYSA-N
XLogP-0.04
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
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-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 115410093) is N-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(C)CONC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is ZWRMVHSEJYTRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(2)5-15-12-9(14)7-3-4-8(13)11-10-7/h6H,3-5H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 213.24 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 115410093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).