6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C14H15N3O2S — CID 60659704

IUPAC6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=CCSc1ccccc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C14H15N3O2S/c1-2-9-20-12-6-4-3-5-10(12)15-14(19)11-7-8-13(18)17-16-11/h2-6H,1,7-9H2,(H,15,19)(H,17,18)
InChIKeyCNCHIYBTDXKQJW-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.17
Rot. Bonds5

About 6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60659704) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60659704
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=CCSc1ccccc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C14H15N3O2S/c1-2-9-20-12-6-4-3-5-10(12)15-14(19)11-7-8-13(18)17-16-11/h2-6H,1,7-9H2,(H,15,19)(H,17,18)
InChIKeyCNCHIYBTDXKQJW-UHFFFAOYSA-N
XLogP2.17
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-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

2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 62536488
N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934176
4-oxo-N-(2-prop-2-enylsulfanylphenyl)-3H-phthalazine-1-carboxamide
CID 17414247
4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63103213
4-bromo-3-chloro-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 81296027
N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113351750
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61258347
6-oxo-N-(2-pyrazol-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61276124
2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33331086
4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 33002746
3-amino-2-chloro-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 115930203

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60659704) is 6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is C=CCSc1ccccc1NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of 6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is CNCHIYBTDXKQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-2-9-20-12-6-4-3-5-10(12)15-14(19)11-7-8-13(18)17-16-11/h2-6H,1,7-9H2,(H,15,19)(H,17,18).
What are the key properties of 6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60659704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).