4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one

C14H12Cl2N2O — CID 113236762

IUPAC4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C14H12Cl2N2O/c15-12-7-17-18(14(19)13(12)16)8-9-4-5-10-2-1-3-11(10)6-9/h4-7H,1-3,8H2
InChIKeyKJFSUXIICJQFOS-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.09
Rot. Bonds2

About 4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one

4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one (PubChem CID 113236762) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one
PubChem CID113236762
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C14H12Cl2N2O/c15-12-7-17-18(14(19)13(12)16)8-9-4-5-10-2-1-3-11(10)6-9/h4-7H,1-3,8H2
InChIKeyKJFSUXIICJQFOS-UHFFFAOYSA-N
XLogP3.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one (CID 113236762) is 4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1Cc1ccc2c(c1)CCC2.
What is the InChIKey of 4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one?
The InChIKey is KJFSUXIICJQFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c15-12-7-17-18(14(19)13(12)16)8-9-4-5-10-2-1-3-11(10)6-9/h4-7H,1-3,8H2.
What are the key properties of 4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one?
4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one has a molecular weight of 295.17 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 113236762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).