2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one

C15H15FN2O2 — CID 174586913

IUPAC2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one
SMILESO=c1cc(O)c(-c2ccc(F)cc2)nn1CCC1CC1
InChIInChI=1S/C15H15FN2O2/c16-12-5-3-11(4-6-12)15-13(19)9-14(20)18(17-15)8-7-10-1-2-10/h3-6,9-10,19H,1-2,7-8H2
InChIKeyAWBVVAUCBIEPNB-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.56
Rot. Bonds4

About 2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one

2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one (PubChem CID 174586913) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one
PubChem CID174586913
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one
SMILESO=c1cc(O)c(-c2ccc(F)cc2)nn1CCC1CC1
InChIInChI=1S/C15H15FN2O2/c16-12-5-3-11(4-6-12)15-13(19)9-14(20)18(17-15)8-7-10-1-2-10/h3-6,9-10,19H,1-2,7-8H2
InChIKeyAWBVVAUCBIEPNB-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one?
The IUPAC name of 2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one (CID 174586913) is 2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one.
What is the SMILES notation for 2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one?
The canonical SMILES for 2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one is O=c1cc(O)c(-c2ccc(F)cc2)nn1CCC1CC1.
What is the InChIKey of 2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one?
The InChIKey is AWBVVAUCBIEPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-12-5-3-11(4-6-12)15-13(19)9-14(20)18(17-15)8-7-10-1-2-10/h3-6,9-10,19H,1-2,7-8H2.
What are the key properties of 2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one?
2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one has a molecular weight of 274.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one is sourced from PubChem (CID 174586913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).