2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one

C14H13F2N3O — CID 103217946

IUPAC2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1cc(F)ccc1F)CCCN2
InChIInChI=1S/C14H13F2N3O/c15-10-3-4-11(16)9(6-10)8-19-14(20)7-13-12(18-19)2-1-5-17-13/h3-4,6-7,17H,1-2,5,8H2
InChIKeyIXKKXGDJLKCZQE-UHFFFAOYSA-N
MW277.27 g/mol
LogP1.93
Rot. Bonds2

About 2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one

2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one (PubChem CID 103217946) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
PubChem CID103217946
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1cc(F)ccc1F)CCCN2
InChIInChI=1S/C14H13F2N3O/c15-10-3-4-11(16)9(6-10)8-19-14(20)7-13-12(18-19)2-1-5-17-13/h3-4,6-7,17H,1-2,5,8H2
InChIKeyIXKKXGDJLKCZQE-UHFFFAOYSA-N
XLogP1.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one (CID 103217946) is 2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one is O=c1cc2c(nn1Cc1cc(F)ccc1F)CCCN2.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The InChIKey is IXKKXGDJLKCZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-10-3-4-11(16)9(6-10)8-19-14(20)7-13-12(18-19)2-1-5-17-13/h3-4,6-7,17H,1-2,5,8H2.
What are the key properties of 2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one has a molecular weight of 277.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one is sourced from PubChem (CID 103217946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).