4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one

C18H17ClN4O2 — CID 1489600

IUPAC4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one
SMILESCOc1ccc(-n2ncc(NCCc3ccccn3)c(Cl)c2=O)cc1
InChIInChI=1S/C18H17ClN4O2/c1-25-15-7-5-14(6-8-15)23-18(24)17(19)16(12-22-23)21-11-9-13-4-2-3-10-20-13/h2-8,10,12,21H,9,11H2,1H3
InChIKeyQTTGJAKZMUFDRJ-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.94
Rot. Bonds6

About 4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one

4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one (PubChem CID 1489600) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one
PubChem CID1489600
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one
SMILESCOc1ccc(-n2ncc(NCCc3ccccn3)c(Cl)c2=O)cc1
InChIInChI=1S/C18H17ClN4O2/c1-25-15-7-5-14(6-8-15)23-18(24)17(19)16(12-22-23)21-11-9-13-4-2-3-10-20-13/h2-8,10,12,21H,9,11H2,1H3
InChIKeyQTTGJAKZMUFDRJ-UHFFFAOYSA-N
XLogP2.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one (CID 1489600) is 4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one is COc1ccc(-n2ncc(NCCc3ccccn3)c(Cl)c2=O)cc1.
What is the InChIKey of 4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one?
The InChIKey is QTTGJAKZMUFDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-25-15-7-5-14(6-8-15)23-18(24)17(19)16(12-22-23)21-11-9-13-4-2-3-10-20-13/h2-8,10,12,21H,9,11H2,1H3.
What are the key properties of 4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one?
4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one has a molecular weight of 356.81 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methoxyphenyl)-5-(2-pyridin-2-ylethylamino)pyridazin-3-one is sourced from PubChem (CID 1489600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).