N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H12BrN3O2S — CID 54983860

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H12BrN3O2S/c1-15(5-7-4-9(12)18-6-7)11(17)8-2-3-10(16)14-13-8/h4,6H,2-3,5H2,1H3,(H,14,16)
InChIKeyAPGRWMUFASERCQ-UHFFFAOYSA-N
MW330.21 g/mol
LogP1.74
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 54983860) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID54983860
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H12BrN3O2S/c1-15(5-7-4-9(12)18-6-7)11(17)8-2-3-10(16)14-13-8/h4,6H,2-3,5H2,1H3,(H,14,16)
InChIKeyAPGRWMUFASERCQ-UHFFFAOYSA-N
XLogP1.74
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 54983860) is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CN(Cc1csc(Br)c1)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is APGRWMUFASERCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-15(5-7-4-9(12)18-6-7)11(17)8-2-3-10(16)14-13-8/h4,6H,2-3,5H2,1H3,(H,14,16).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 330.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 54983860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).