4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one

C15H18ClN3O2 — CID 115573801

IUPAC4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCc2ccccc2C)c(Cl)c1=O
InChIInChI=1S/C15H18ClN3O2/c1-11-5-3-4-6-12(11)9-17-13-10-18-19(7-8-21-2)15(20)14(13)16/h3-6,10,17H,7-9H2,1-2H3
InChIKeyKDRQDCCYHGOGRD-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.46
Rot. Bonds6

About 4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one

4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one (PubChem CID 115573801) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
PubChem CID115573801
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCc2ccccc2C)c(Cl)c1=O
InChIInChI=1S/C15H18ClN3O2/c1-11-5-3-4-6-12(11)9-17-13-10-18-19(7-8-21-2)15(20)14(13)16/h3-6,10,17H,7-9H2,1-2H3
InChIKeyKDRQDCCYHGOGRD-UHFFFAOYSA-N
XLogP2.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
CID 114433960
4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one
CID 115586302
4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114440096
4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113234186
4-chloro-2-(2-methoxyethyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 103703243
4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one
CID 114434381
4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115593128
4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114439562
4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one
CID 114434254
4-chloro-5-[2-(dimethylamino)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115573762
4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one
CID 115579123
4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 113236537

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one (CID 115573801) is 4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one is COCCn1ncc(NCc2ccccc2C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one?
The InChIKey is KDRQDCCYHGOGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-11-5-3-4-6-12(11)9-17-13-10-18-19(7-8-21-2)15(20)14(13)16/h3-6,10,17H,7-9H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one?
4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one has a molecular weight of 307.78 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 115573801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).