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

C14H15BrClN3O — CID 114432195

IUPAC4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2ccccc2Cl)c(Br)c1=O
InChIInChI=1S/C14H15BrClN3O/c1-2-7-19-14(20)13(15)12(9-18-19)17-8-10-5-3-4-6-11(10)16/h3-6,9,17H,2,7-8H2,1H3
InChIKeyQLXVXPLFOZXTLB-UHFFFAOYSA-N
MW356.65 g/mol
LogP3.68
Rot. Bonds5

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

4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one (PubChem CID 114432195) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one
PubChem CID114432195
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2ccccc2Cl)c(Br)c1=O
InChIInChI=1S/C14H15BrClN3O/c1-2-7-19-14(20)13(15)12(9-18-19)17-8-10-5-3-4-6-11(10)16/h3-6,9,17H,2,7-8H2,1H3
InChIKeyQLXVXPLFOZXTLB-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-[(2-chlorophenyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432196
4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one
CID 114439016
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-[(3-ethylthiophen-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114440240
4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
CID 114433960
4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114432815
4-bromo-5-[(1-methylpyrazol-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114435162
4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
CID 114435100
5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one
CID 114446777
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
4-bromo-2-butyl-5-[(3-methyl-4-pyridinyl)methylamino]pyridazin-3-one
CID 114700839

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one (CID 114432195) is 4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCc2ccccc2Cl)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is QLXVXPLFOZXTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-2-7-19-14(20)13(15)12(9-18-19)17-8-10-5-3-4-6-11(10)16/h3-6,9,17H,2,7-8H2,1H3.
What are the key properties of 4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one?
4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 356.65 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114432195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).