5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one

C15H18ClN3O2 — CID 133271367

IUPAC5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(CCCN(C)c2cn[nH]c(=O)c2Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-19(13-10-17-18-15(20)14(13)16)9-3-4-11-5-7-12(21-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyNUQJDBAIQOGLOR-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.50
Rot. Bonds6

About 5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one

5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one (PubChem CID 133271367) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one
PubChem CID133271367
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(CCCN(C)c2cn[nH]c(=O)c2Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-19(13-10-17-18-15(20)14(13)16)9-3-4-11-5-7-12(21-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyNUQJDBAIQOGLOR-UHFFFAOYSA-N
XLogP2.50
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one (CID 133271367) is 5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one is COc1ccc(CCCN(C)c2cn[nH]c(=O)c2Cl)cc1.
What is the InChIKey of 5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one?
The InChIKey is NUQJDBAIQOGLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-19(13-10-17-18-15(20)14(13)16)9-3-4-11-5-7-12(21-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,18,20).
What are the key properties of 5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one?
5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one has a molecular weight of 307.78 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-(4-methoxyphenyl)propyl-methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 133271367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).