4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one

C14H15BrFN3O — CID 114432815

IUPAC4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2cccc(F)c2)c(Br)c1=O
InChIInChI=1S/C14H15BrFN3O/c1-2-6-19-14(20)13(15)12(9-18-19)17-8-10-4-3-5-11(16)7-10/h3-5,7,9,17H,2,6,8H2,1H3
InChIKeyVUWDHPJVYSMZOA-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.17
Rot. Bonds5

About 4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one

4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one (PubChem CID 114432815) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one
PubChem CID114432815
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2cccc(F)c2)c(Br)c1=O
InChIInChI=1S/C14H15BrFN3O/c1-2-6-19-14(20)13(15)12(9-18-19)17-8-10-4-3-5-11(16)7-10/h3-5,7,9,17H,2,6,8H2,1H3
InChIKeyVUWDHPJVYSMZOA-UHFFFAOYSA-N
XLogP3.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-[(3-fluorophenyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432816
4-bromo-5-[(3-fluorophenyl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114432811
4-bromo-5-[(3-chloro-4-fluorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114437271
4-bromo-5-[(2,5-difluorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114438013
4-bromo-5-[(1-methylpyrazol-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114435162
5-(benzylamino)-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432062
4-bromo-5-[2-(3-fluorophenyl)ethylamino]-2-prop-2-enylpyridazin-3-one
CID 114433588
4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
CID 114435100
4-bromo-5-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]-2-methylpyridazin-3-one
CID 133303737
4-bromo-5-[(3-ethylthiophen-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114440240
4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114433908
5-(benzylamino)-4-bromo-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114432047

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one (CID 114432815) is 4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCc2cccc(F)c2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is VUWDHPJVYSMZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-2-6-19-14(20)13(15)12(9-18-19)17-8-10-4-3-5-11(16)7-10/h3-5,7,9,17H,2,6,8H2,1H3.
What are the key properties of 4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one?
4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 340.20 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114432815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).