N-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide

C9H13N3O2S — CID 103747396

IUPACN-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCSCCN(C)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H13N3O2S/c1-12(5-6-15-2)9(14)7-3-4-8(13)11-10-7/h3-4H,5-6H2,1-2H3,(H,11,13)
InChIKeySYSGANSOKLZTCY-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.20
Rot. Bonds4

About N-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide

N-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103747396) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103747396
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCSCCN(C)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H13N3O2S/c1-12(5-6-15-2)9(14)7-3-4-8(13)11-10-7/h3-4H,5-6H2,1-2H3,(H,11,13)
InChIKeySYSGANSOKLZTCY-UHFFFAOYSA-N
XLogP0.20
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103747396) is N-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide is CSCCN(C)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is SYSGANSOKLZTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-12(5-6-15-2)9(14)7-3-4-8(13)11-10-7/h3-4H,5-6H2,1-2H3,(H,11,13).
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103747396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).