4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid

C10H15N3O4S — CID 43353492

IUPAC4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESCSCCC(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-18-5-4-7(10(16)17)11-9(15)6-2-3-8(14)13-12-6/h7H,2-5H2,1H3,(H,11,15)(H,13,14)(H,16,17)
InChIKeyRQKFIPCIMNPTEH-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.43
Rot. Bonds6

About 4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid

4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 43353492) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
PubChem CID43353492
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESCSCCC(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-18-5-4-7(10(16)17)11-9(15)6-2-3-8(14)13-12-6/h7H,2-5H2,1H3,(H,11,15)(H,13,14)(H,16,17)
InChIKeyRQKFIPCIMNPTEH-UHFFFAOYSA-N
XLogP-0.43
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid (CID 43353492) is 4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid is CSCCC(NC(=O)C1=NNC(=O)CC1)C(=O)O.
What is the InChIKey of 4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is RQKFIPCIMNPTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-18-5-4-7(10(16)17)11-9(15)6-2-3-8(14)13-12-6/h7H,2-5H2,1H3,(H,11,15)(H,13,14)(H,16,17).
What are the key properties of 4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 273.31 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43353492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).