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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Related Compounds

4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one
CID 114386429
4,5-dichloro-2-[[3-(methyliminomethyl)phenyl]methyl]pyridazin-3-one
CID 129267608
4-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-2-methoxybenzonitrile
CID 106793163
2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one
CID 7844651
2-(bromomethyl)-4,5-dichloropyridazin-3-one
CID 4612286
4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one
CID 2662480
3-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-5-fluorobenzonitrile
CID 114386442
4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 2736823
6-chloro-3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methoxypyrimidin-4-one
CID 114585203
2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
CID 779667
4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one
CID 16560641
2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
CID 103218042

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).