4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one

C14H17ClN4O2 — CID 115586302

IUPAC4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCc2cccc(C)n2)c(Cl)c1=O
InChIInChI=1S/C14H17ClN4O2/c1-10-4-3-5-11(18-10)8-16-12-9-17-19(6-7-21-2)14(20)13(12)15/h3-5,9,16H,6-8H2,1-2H3
InChIKeyQNESNZHGVCQGJB-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.86
Rot. Bonds6

About 4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one

4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one (PubChem CID 115586302) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one
PubChem CID115586302
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCc2cccc(C)n2)c(Cl)c1=O
InChIInChI=1S/C14H17ClN4O2/c1-10-4-3-5-11(18-10)8-16-12-9-17-19(6-7-21-2)14(20)13(12)15/h3-5,9,16H,6-8H2,1-2H3
InChIKeyQNESNZHGVCQGJB-UHFFFAOYSA-N
XLogP1.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
CID 115573801
4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one
CID 114434381
4-chloro-2-(2-methoxyethyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 103703243
4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113234186
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-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114439793
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
4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
CID 104696007

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one (CID 115586302) is 4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one is COCCn1ncc(NCc2cccc(C)n2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one?
The InChIKey is QNESNZHGVCQGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-10-4-3-5-11(18-10)8-16-12-9-17-19(6-7-21-2)14(20)13(12)15/h3-5,9,16H,6-8H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one?
4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one has a molecular weight of 308.77 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 115586302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).