N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide

C11H11N3O2 — CID 676915

IUPACN-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide
SMILESO=CNc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C11H11N3O2/c15-7-12-9-3-1-8(2-4-9)10-5-6-11(16)14-13-10/h1-4,7H,5-6H2,(H,12,15)(H,14,16)
InChIKeyQFCWOGMTXSEBNE-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.87
Rot. Bonds3

About N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide

N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide (PubChem CID 676915) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide
PubChem CID676915
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide
SMILESO=CNc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C11H11N3O2/c15-7-12-9-3-1-8(2-4-9)10-5-6-11(16)14-13-10/h1-4,7H,5-6H2,(H,12,15)(H,14,16)
InChIKeyQFCWOGMTXSEBNE-UHFFFAOYSA-N
XLogP0.87
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide?
The IUPAC name of N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide (CID 676915) is N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide?
The canonical SMILES for N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide is O=CNc1ccc(C2=NNC(=O)CC2)cc1.
What is the InChIKey of N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide?
The InChIKey is QFCWOGMTXSEBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-7-12-9-3-1-8(2-4-9)10-5-6-11(16)14-13-10/h1-4,7H,5-6H2,(H,12,15)(H,14,16).
What are the key properties of N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide?
N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide has a molecular weight of 217.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]formamide is sourced from PubChem (CID 676915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).