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

C19H18ClN3O3 — CID 133356981

IUPAC4-[bis(3-methoxyphenyl)methylamino]-5-chloro-1H-pyridazin-6-one
SMILESCOc1cccc(C(Nc2cn[nH]c(=O)c2Cl)c2cccc(OC)c2)c1
InChIInChI=1S/C19H18ClN3O3/c1-25-14-7-3-5-12(9-14)18(13-6-4-8-15(10-13)26-2)22-16-11-21-23-19(24)17(16)20/h3-11,18H,1-2H3,(H2,22,23,24)
InChIKeyMFFHNCIKUNVTON-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.64
Rot. Bonds6

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

4-[bis(3-methoxyphenyl)methylamino]-5-chloro-1H-pyridazin-6-one (PubChem CID 133356981) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 4-[bis(3-methoxyphenyl)methylamino]-5-chloro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[bis(3-methoxyphenyl)methylamino]-5-chloro-1H-pyridazin-6-one
PubChem CID133356981
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name4-[bis(3-methoxyphenyl)methylamino]-5-chloro-1H-pyridazin-6-one
SMILESCOc1cccc(C(Nc2cn[nH]c(=O)c2Cl)c2cccc(OC)c2)c1
InChIInChI=1S/C19H18ClN3O3/c1-25-14-7-3-5-12(9-14)18(13-6-4-8-15(10-13)26-2)22-16-11-21-23-19(24)17(16)20/h3-11,18H,1-2H3,(H2,22,23,24)
InChIKeyMFFHNCIKUNVTON-UHFFFAOYSA-N
XLogP3.64
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(3-methoxyphenyl)methylamino]-5-chloro-1H-pyridazin-6-one?
The IUPAC name of 4-[bis(3-methoxyphenyl)methylamino]-5-chloro-1H-pyridazin-6-one (CID 133356981) is 4-[bis(3-methoxyphenyl)methylamino]-5-chloro-1H-pyridazin-6-one.
What is the SMILES notation for 4-[bis(3-methoxyphenyl)methylamino]-5-chloro-1H-pyridazin-6-one?
The canonical SMILES for 4-[bis(3-methoxyphenyl)methylamino]-5-chloro-1H-pyridazin-6-one is COc1cccc(C(Nc2cn[nH]c(=O)c2Cl)c2cccc(OC)c2)c1.
What is the InChIKey of 4-[bis(3-methoxyphenyl)methylamino]-5-chloro-1H-pyridazin-6-one?
The InChIKey is MFFHNCIKUNVTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-25-14-7-3-5-12(9-14)18(13-6-4-8-15(10-13)26-2)22-16-11-21-23-19(24)17(16)20/h3-11,18H,1-2H3,(H2,22,23,24).
What are the key properties of 4-[bis(3-methoxyphenyl)methylamino]-5-chloro-1H-pyridazin-6-one?
4-[bis(3-methoxyphenyl)methylamino]-5-chloro-1H-pyridazin-6-one has a molecular weight of 371.82 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(3-methoxyphenyl)methylamino]-5-chloro-1H-pyridazin-6-one is sourced from PubChem (CID 133356981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).