2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one

C12H14N2O — CID 814967

IUPAC2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one
SMILESCCN1N=C(c2ccccc2)CCC1=O
InChIInChI=1S/C12H14N2O/c1-2-14-12(15)9-8-11(13-14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyQIUATXGHXBDLCK-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.03
Rot. Bonds2

About 2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one

2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 814967) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one
PubChem CID814967
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one
SMILESCCN1N=C(c2ccccc2)CCC1=O
InChIInChI=1S/C12H14N2O/c1-2-14-12(15)9-8-11(13-14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyQIUATXGHXBDLCK-UHFFFAOYSA-N
XLogP2.03
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one (CID 814967) is 2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one is CCN1N=C(c2ccccc2)CCC1=O.
What is the InChIKey of 2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is QIUATXGHXBDLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-14-12(15)9-8-11(13-14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of 2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one?
2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 202.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 814967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).