3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one

C14H14Cl2N2O — CID 54325310

IUPAC3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one
SMILESCC(C)(C)c1c(Cl)cc(-c2ccc(=O)[nH]n2)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-14(2,3)13-9(15)6-8(7-10(13)16)11-4-5-12(19)18-17-11/h4-7H,1-3H3,(H,18,19)
InChIKeySUMNASJMAOOTRF-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.04
Rot. Bonds1

About 3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one

3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one (PubChem CID 54325310) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one
PubChem CID54325310
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one
SMILESCC(C)(C)c1c(Cl)cc(-c2ccc(=O)[nH]n2)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-14(2,3)13-9(15)6-8(7-10(13)16)11-4-5-12(19)18-17-11/h4-7H,1-3H3,(H,18,19)
InChIKeySUMNASJMAOOTRF-UHFFFAOYSA-N
XLogP4.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one (CID 54325310) is 3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one is CC(C)(C)c1c(Cl)cc(-c2ccc(=O)[nH]n2)cc1Cl.
What is the InChIKey of 3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one?
The InChIKey is SUMNASJMAOOTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-14(2,3)13-9(15)6-8(7-10(13)16)11-4-5-12(19)18-17-11/h4-7H,1-3H3,(H,18,19).
What are the key properties of 3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one?
3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one has a molecular weight of 297.19 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 54325310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).