4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane

C17H30ClN3O3 — CID 168962935

IUPAC4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane
SMILESCC.CCCC(OC)n1ncc(NCC2CCCOC2)c(Cl)c1=O
InChIInChI=1S/C15H24ClN3O3.C2H6/c1-3-5-13(21-2)19-15(20)14(16)12(9-18-19)17-8-11-6-4-7-22-10-11;1-2/h9,11,13,17H,3-8,10H2,1-2H3;1-2H3
InChIKeyTWTQNFXJKHIDLG-UHFFFAOYSA-N
MW359.90 g/mol
LogP3.71
Rot. Bonds7

About 4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane

4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane (PubChem CID 168962935) has the molecular formula C17H30ClN3O3 and a molecular weight of 359.90 g/mol. Its IUPAC name is 4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane.

Molecular Properties

Compound Name4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane
PubChem CID168962935
Molecular FormulaC17H30ClN3O3
Molecular Weight359.90 g/mol
Exact Mass359.20
IUPAC Name4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane
SMILESCC.CCCC(OC)n1ncc(NCC2CCCOC2)c(Cl)c1=O
InChIInChI=1S/C15H24ClN3O3.C2H6/c1-3-5-13(21-2)19-15(20)14(16)12(9-18-19)17-8-11-6-4-7-22-10-11;1-2/h9,11,13,17H,3-8,10H2,1-2H3;1-2H3
InChIKeyTWTQNFXJKHIDLG-UHFFFAOYSA-N
XLogP3.71
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane?
The IUPAC name of 4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane (CID 168962935) is 4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane.
What is the SMILES notation for 4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane?
The canonical SMILES for 4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane is CC.CCCC(OC)n1ncc(NCC2CCCOC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane?
The InChIKey is TWTQNFXJKHIDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O3.C2H6/c1-3-5-13(21-2)19-15(20)14(16)12(9-18-19)17-8-11-6-4-7-22-10-11;1-2/h9,11,13,17H,3-8,10H2,1-2H3;1-2H3.
What are the key properties of 4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane?
4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane has a molecular weight of 359.90 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methoxybutyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one;ethane is sourced from PubChem (CID 168962935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).