5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one

C8H6BrN3OS — CID 117127376

IUPAC5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one
SMILESNc1c(-c2ccc(Br)s2)cn[nH]c1=O
InChIInChI=1S/C8H6BrN3OS/c9-6-2-1-5(14-6)4-3-11-12-8(13)7(4)10/h1-3H,(H2,10,11)(H,12,13)
InChIKeyJMUICYRRNLZCPU-UHFFFAOYSA-N
MW272.13 g/mol
LogP1.84
Rot. Bonds1

About 5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one

5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one (PubChem CID 117127376) has the molecular formula C8H6BrN3OS and a molecular weight of 272.13 g/mol. Its IUPAC name is 5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one
PubChem CID117127376
Molecular FormulaC8H6BrN3OS
Molecular Weight272.13 g/mol
Exact Mass270.94
IUPAC Name5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one
SMILESNc1c(-c2ccc(Br)s2)cn[nH]c1=O
InChIInChI=1S/C8H6BrN3OS/c9-6-2-1-5(14-6)4-3-11-12-8(13)7(4)10/h1-3H,(H2,10,11)(H,12,13)
InChIKeyJMUICYRRNLZCPU-UHFFFAOYSA-N
XLogP1.84
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine
CID 67260424
2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 112707592
5-amino-4-(furan-2-yl)-1H-pyridazin-6-one
CID 117127370
5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one
CID 117127372
5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one
CID 117127405
2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 117260612
3-(5-bromothiophen-2-yl)-4-fluoroaniline
CID 61319647
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
2-(5-bromothiophen-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66285974
CID 89199341
CID 89199341
5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine
CID 79405503
2-bromo-7H-pyrido[2,3-d]pyridazin-8-one
CID 22265316

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one (CID 117127376) is 5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one is Nc1c(-c2ccc(Br)s2)cn[nH]c1=O.
What is the InChIKey of 5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one?
The InChIKey is JMUICYRRNLZCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3OS/c9-6-2-1-5(14-6)4-3-11-12-8(13)7(4)10/h1-3H,(H2,10,11)(H,12,13).
What are the key properties of 5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one?
5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one has a molecular weight of 272.13 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 117127376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).