5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one

C11H12BrN3OS — CID 114386015

IUPAC5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one
SMILESCCC(Nc1cn[nH]c(=O)c1Br)c1cccs1
InChIInChI=1S/C11H12BrN3OS/c1-2-7(9-4-3-5-17-9)14-8-6-13-15-11(16)10(8)12/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyJATFHFMXTNNUII-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.16
Rot. Bonds4

About 5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one

5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one (PubChem CID 114386015) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one
PubChem CID114386015
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one
SMILESCCC(Nc1cn[nH]c(=O)c1Br)c1cccs1
InChIInChI=1S/C11H12BrN3OS/c1-2-7(9-4-3-5-17-9)14-8-6-13-15-11(16)10(8)12/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyJATFHFMXTNNUII-UHFFFAOYSA-N
XLogP3.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one
CID 115576984
6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine
CID 107489486
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003
2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline
CID 81264228
4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 65343285
5-bromo-4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
CID 114386278
5-bromo-4-(4-ethylsulfanylbutan-2-ylamino)-1H-pyridazin-6-one
CID 114386315
4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid
CID 81243701
5-methoxy-2-methyl-N-(1-thiophen-2-ylpropyl)pyridin-4-amine
CID 106660407
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
CID 61076983
5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 102809527
2-bromo-3-fluoro-4-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 107534858

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one (CID 114386015) is 5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one is CCC(Nc1cn[nH]c(=O)c1Br)c1cccs1.
What is the InChIKey of 5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one?
The InChIKey is JATFHFMXTNNUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-2-7(9-4-3-5-17-9)14-8-6-13-15-11(16)10(8)12/h3-7H,2H2,1H3,(H2,14,15,16).
What are the key properties of 5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one?
5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one has a molecular weight of 314.21 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114386015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).