N-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide

C12H9N3O4 — CID 2380499

IUPACN-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H9N3O4/c16-11-4-2-8(14-15-11)12(17)13-7-1-3-9-10(5-7)19-6-18-9/h1-5H,6H2,(H,13,17)(H,15,16)
InChIKeyFRWZAXMXHLMKMU-UHFFFAOYSA-N
MW259.22 g/mol
LogP0.75
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 2380499) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID2380499
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H9N3O4/c16-11-4-2-8(14-15-11)12(17)13-7-1-3-9-10(5-7)19-6-18-9/h1-5H,6H2,(H,13,17)(H,15,16)
InChIKeyFRWZAXMXHLMKMU-UHFFFAOYSA-N
XLogP0.75
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 2380499) is N-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is FRWZAXMXHLMKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c16-11-4-2-8(14-15-11)12(17)13-7-1-3-9-10(5-7)19-6-18-9/h1-5H,6H2,(H,13,17)(H,15,16).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 259.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 2380499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).