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

C10H8BrN3O2S — CID 38637755

IUPACN-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1csc(Br)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H8BrN3O2S/c11-8-3-6(5-17-8)4-12-10(16)7-1-2-9(15)14-13-7/h1-3,5H,4H2,(H,12,16)(H,14,15)
InChIKeyFGCVNFPIECPCJY-UHFFFAOYSA-N
MW314.16 g/mol
LogP1.52
Rot. Bonds3

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

N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 38637755) has the molecular formula C10H8BrN3O2S and a molecular weight of 314.16 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID38637755
Molecular FormulaC10H8BrN3O2S
Molecular Weight314.16 g/mol
Exact Mass312.95
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1csc(Br)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H8BrN3O2S/c11-8-3-6(5-17-8)4-12-10(16)7-1-2-9(15)14-13-7/h1-3,5H,4H2,(H,12,16)(H,14,15)
InChIKeyFGCVNFPIECPCJY-UHFFFAOYSA-N
XLogP1.52
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide
CID 47329110
N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 130948300
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide
CID 110793755
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794473
N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793511
6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyridazine-3-carboxamide
CID 51087114
N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide
CID 47183552
6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 49411682
N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746244
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794810
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 122263899

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 38637755) is N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCc1csc(Br)c1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is FGCVNFPIECPCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2S/c11-8-3-6(5-17-8)4-12-10(16)7-1-2-9(15)14-13-7/h1-3,5H,4H2,(H,12,16)(H,14,15).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 314.16 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 38637755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).