4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one

C14H17BrClN3OS — CID 114435450

IUPAC4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NC(C)c2ccc(Cl)s2)c(Br)c1=O
InChIInChI=1S/C14H17BrClN3OS/c1-8(2)7-19-14(20)13(15)10(6-17-19)18-9(3)11-4-5-12(16)21-11/h4-6,8-9,18H,7H2,1-3H3
InChIKeyYUWXIKRHHJKDPU-UHFFFAOYSA-N
MW390.73 g/mol
LogP4.55
Rot. Bonds5

About 4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one

4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114435450) has the molecular formula C14H17BrClN3OS and a molecular weight of 390.73 g/mol. Its IUPAC name is 4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114435450
Molecular FormulaC14H17BrClN3OS
Molecular Weight390.73 g/mol
Exact Mass389.00
IUPAC Name4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NC(C)c2ccc(Cl)s2)c(Br)c1=O
InChIInChI=1S/C14H17BrClN3OS/c1-8(2)7-19-14(20)13(15)10(6-17-19)18-9(3)11-4-5-12(16)21-11/h4-6,8-9,18H,7H2,1-3H3
InChIKeyYUWXIKRHHJKDPU-UHFFFAOYSA-N
XLogP4.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.73
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[1-(5-methylthiophen-2-yl)ethylamino]-2-prop-2-enylpyridazin-3-one
CID 114435577
4-bromo-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114435658
ethyl 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]propanoate
CID 114435725
4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435807
4-bromo-5-(1-thiophen-2-ylethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114433376
4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434648
4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one
CID 114435834
3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62940736
4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-one
CID 114440101
4-bromo-5-[(4-hydroxyphenyl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114443482
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-methylacetamide
CID 114432996
4-bromo-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136743

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one (CID 114435450) is 4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(NC(C)c2ccc(Cl)s2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is YUWXIKRHHJKDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3OS/c1-8(2)7-19-14(20)13(15)10(6-17-19)18-9(3)11-4-5-12(16)21-11/h4-6,8-9,18H,7H2,1-3H3.
What are the key properties of 4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 390.73 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114435450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).