4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one

C15H12N2O2 — CID 70307733

IUPAC4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one
SMILESCOc1cn[nH]c(=O)c1-c1cccc2ccccc12
InChIInChI=1S/C15H12N2O2/c1-19-13-9-16-17-15(18)14(13)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,17,18)
InChIKeyRHFDKMKIZUXJJR-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.60
Rot. Bonds2

About 4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one

4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one (PubChem CID 70307733) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one
PubChem CID70307733
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one
SMILESCOc1cn[nH]c(=O)c1-c1cccc2ccccc12
InChIInChI=1S/C15H12N2O2/c1-19-13-9-16-17-15(18)14(13)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,17,18)
InChIKeyRHFDKMKIZUXJJR-UHFFFAOYSA-N
XLogP2.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one?
The IUPAC name of 4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one (CID 70307733) is 4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for 4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one?
The canonical SMILES for 4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one is COc1cn[nH]c(=O)c1-c1cccc2ccccc12.
What is the InChIKey of 4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one?
The InChIKey is RHFDKMKIZUXJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-13-9-16-17-15(18)14(13)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,17,18).
What are the key properties of 4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one?
4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one has a molecular weight of 252.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 70307733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).