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

C10H10BrN3OS — CID 115576984

IUPAC5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one
SMILESCC(Nc1cn[nH]c(=O)c1Br)c1cccs1
InChIInChI=1S/C10H10BrN3OS/c1-6(8-3-2-4-16-8)13-7-5-12-14-10(15)9(7)11/h2-6H,1H3,(H2,13,14,15)
InChIKeyUILYIJUEFSZMRF-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.77
Rot. Bonds3

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

5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one (PubChem CID 115576984) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one
PubChem CID115576984
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one
SMILESCC(Nc1cn[nH]c(=O)c1Br)c1cccs1
InChIInChI=1S/C10H10BrN3OS/c1-6(8-3-2-4-16-8)13-7-5-12-14-10(15)9(7)11/h2-6H,1H3,(H2,13,14,15)
InChIKeyUILYIJUEFSZMRF-UHFFFAOYSA-N
XLogP2.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one
CID 114386015
3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine
CID 104776798
5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one
CID 115577041
4-bromo-5-(1-thiophen-2-ylethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114433376
5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one
CID 115576956
5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741369
5-bromo-4-(4-ethylsulfanylbutan-2-ylamino)-1H-pyridazin-6-one
CID 114386315
5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43729607
4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline
CID 81292571
3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 116783435
2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 43534396
5-amino-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60810093

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one (CID 115576984) is 5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one is CC(Nc1cn[nH]c(=O)c1Br)c1cccs1.
What is the InChIKey of 5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one?
The InChIKey is UILYIJUEFSZMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-6(8-3-2-4-16-8)13-7-5-12-14-10(15)9(7)11/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one?
5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one has a molecular weight of 300.18 g/mol, XLogP of 2.77, 3 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-ylethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 115576984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).