5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one

C17H12BrCl2N3O — CID 46887098

IUPAC5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one
SMILESO=c1c(Br)c(NCc2ccccc2)cnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H12BrCl2N3O/c18-15-14(21-9-11-5-2-1-3-6-11)10-22-23(17(15)24)16-12(19)7-4-8-13(16)20/h1-8,10,21H,9H2
InChIKeyCSIAPGGZHAGSRU-UHFFFAOYSA-N
MW425.11 g/mol
LogP4.91
Rot. Bonds4

About 5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one

5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one (PubChem CID 46887098) has the molecular formula C17H12BrCl2N3O and a molecular weight of 425.11 g/mol. Its IUPAC name is 5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one
PubChem CID46887098
Molecular FormulaC17H12BrCl2N3O
Molecular Weight425.11 g/mol
Exact Mass422.95
IUPAC Name5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one
SMILESO=c1c(Br)c(NCc2ccccc2)cnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H12BrCl2N3O/c18-15-14(21-9-11-5-2-1-3-6-11)10-22-23(17(15)24)16-12(19)7-4-8-13(16)20/h1-8,10,21H,9H2
InChIKeyCSIAPGGZHAGSRU-UHFFFAOYSA-N
XLogP4.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.11
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzylamino)-4-bromo-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114432047
4-bromo-2-(2,6-dichlorophenyl)-5-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pyridazin-3-one
CID 10288645
5-(benzylamino)-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432062
N-benzyl-2-bromo-3-chloroaniline
CID 103477865
5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432064
4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114432195
4-bromo-5-[(2-chlorophenyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432196
4-bromo-5-[(4-chlorophenyl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114431125
4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one
CID 10310586
4-bromo-5-[(4-chlorophenyl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114431095
4-bromo-5-(3-hydroxypropylamino)-2-phenylpyridazin-3-one
CID 2008168
4-bromo-5-[(4-chlorophenyl)methylamino]-2-(cyclopropylmethyl)pyridazin-3-one
CID 114431110

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one?
The IUPAC name of 5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one (CID 46887098) is 5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one.
What is the SMILES notation for 5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one?
The canonical SMILES for 5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one is O=c1c(Br)c(NCc2ccccc2)cnn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one?
The InChIKey is CSIAPGGZHAGSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrCl2N3O/c18-15-14(21-9-11-5-2-1-3-6-11)10-22-23(17(15)24)16-12(19)7-4-8-13(16)20/h1-8,10,21H,9H2.
What are the key properties of 5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one?
5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one has a molecular weight of 425.11 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3-one is sourced from PubChem (CID 46887098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).