5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one

C12H11ClN2O2 — CID 117106835

IUPAC5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
SMILESCOc1ccc(Cc2cc(Cl)c(=O)[nH]n2)cc1
InChIInChI=1S/C12H11ClN2O2/c1-17-10-4-2-8(3-5-10)6-9-7-11(13)12(16)15-14-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyUSPMINPBTWWWGL-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.02
Rot. Bonds3

About 5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one

5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one (PubChem CID 117106835) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
PubChem CID117106835
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
SMILESCOc1ccc(Cc2cc(Cl)c(=O)[nH]n2)cc1
InChIInChI=1S/C12H11ClN2O2/c1-17-10-4-2-8(3-5-10)6-9-7-11(13)12(16)15-14-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyUSPMINPBTWWWGL-UHFFFAOYSA-N
XLogP2.02
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloroanilino)-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135682172
7-amino-4-[(4-methoxyphenyl)methyl]-2H-phthalazin-1-one
CID 69152626
2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol
CID 123143670
5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one
CID 141196289
2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 136671273
4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613291
2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
CID 67372925
3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 11769880
4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 66285983
[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 79600800
6-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl]-2H-1,2,4-triazine-3,5-dione
CID 146473522
4-butan-2-yl-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-one
CID 56713417

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one (CID 117106835) is 5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one is COc1ccc(Cc2cc(Cl)c(=O)[nH]n2)cc1.
What is the InChIKey of 5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one?
The InChIKey is USPMINPBTWWWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-17-10-4-2-8(3-5-10)6-9-7-11(13)12(16)15-14-9/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one?
5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one has a molecular weight of 250.69 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 117106835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).