4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one

C16H15ClN4O2 — CID 2769264

IUPAC4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one
SMILESCOc1ccc(-n2ncc(N(C)n3cccc3)c(Cl)c2=O)cc1
InChIInChI=1S/C16H15ClN4O2/c1-19(20-9-3-4-10-20)14-11-18-21(16(22)15(14)17)12-5-7-13(23-2)8-6-12/h3-11H,1-2H3
InChIKeyXHMFDOIXIIEIIC-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.60
Rot. Bonds4

About 4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one

4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one (PubChem CID 2769264) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one
PubChem CID2769264
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one
SMILESCOc1ccc(-n2ncc(N(C)n3cccc3)c(Cl)c2=O)cc1
InChIInChI=1S/C16H15ClN4O2/c1-19(20-9-3-4-10-20)14-11-18-21(16(22)15(14)17)12-5-7-13(23-2)8-6-12/h3-11H,1-2H3
InChIKeyXHMFDOIXIIEIIC-UHFFFAOYSA-N
XLogP2.60
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one (CID 2769264) is 4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one is COc1ccc(-n2ncc(N(C)n3cccc3)c(Cl)c2=O)cc1.
What is the InChIKey of 4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one?
The InChIKey is XHMFDOIXIIEIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-19(20-9-3-4-10-20)14-11-18-21(16(22)15(14)17)12-5-7-13(23-2)8-6-12/h3-11H,1-2H3.
What are the key properties of 4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one?
4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one has a molecular weight of 330.78 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methoxyphenyl)-5-[methyl(pyrrol-1-yl)amino]pyridazin-3-one is sourced from PubChem (CID 2769264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).