3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one

C18H17N3O3 — CID 135708777

IUPAC3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESC/C(=N\c1ccc(C2=NNC(=O)CC2)cc1)c1ccc(O)cc1O
InChIInChI=1S/C18H17N3O3/c1-11(15-7-6-14(22)10-17(15)23)19-13-4-2-12(3-5-13)16-8-9-18(24)21-20-16/h2-7,10,22-23H,8-9H2,1H3,(H,21,24)/b19-11+
InChIKeyZWJZVIGHBBBZFM-YBFXNURJSA-N
MW323.35 g/mol
LogP2.85
Rot. Bonds3

About 3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 135708777) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID135708777
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESC/C(=N\c1ccc(C2=NNC(=O)CC2)cc1)c1ccc(O)cc1O
InChIInChI=1S/C18H17N3O3/c1-11(15-7-6-14(22)10-17(15)23)19-13-4-2-12(3-5-13)16-8-9-18(24)21-20-16/h2-7,10,22-23H,8-9H2,1H3,(H,21,24)/b19-11+
InChIKeyZWJZVIGHBBBZFM-YBFXNURJSA-N
XLogP2.85
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 135708777) is 3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one is C/C(=N\c1ccc(C2=NNC(=O)CC2)cc1)c1ccc(O)cc1O.
What is the InChIKey of 3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is ZWJZVIGHBBBZFM-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11(15-7-6-14(22)10-17(15)23)19-13-4-2-12(3-5-13)16-8-9-18(24)21-20-16/h2-7,10,22-23H,8-9H2,1H3,(H,21,24)/b19-11+.
What are the key properties of 3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 323.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 135708777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).