2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one

C14H13ClFN3O — CID 103219913

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one
SMILESO=c1cc(NC2CC2)cnn1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFN3O/c15-12-5-9(1-4-13(12)16)8-19-14(20)6-11(7-17-19)18-10-2-3-10/h1,4-7,10,18H,2-3,8H2
InChIKeyIFJVFJKCFSNYGE-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.66
Rot. Bonds4

About 2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one

2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one (PubChem CID 103219913) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one
PubChem CID103219913
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one
SMILESO=c1cc(NC2CC2)cnn1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFN3O/c15-12-5-9(1-4-13(12)16)8-19-14(20)6-11(7-17-19)18-10-2-3-10/h1,4-7,10,18H,2-3,8H2
InChIKeyIFJVFJKCFSNYGE-UHFFFAOYSA-N
XLogP2.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one (CID 103219913) is 2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one is O=c1cc(NC2CC2)cnn1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one?
The InChIKey is IFJVFJKCFSNYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c15-12-5-9(1-4-13(12)16)8-19-14(20)6-11(7-17-19)18-10-2-3-10/h1,4-7,10,18H,2-3,8H2.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one?
2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one has a molecular weight of 293.73 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one is sourced from PubChem (CID 103219913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).