1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide

C12H19N3O4S — CID 74235415

IUPAC1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCC(C)CS(=O)(=O)CCNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H19N3O4S/c1-9(2)8-20(18,19)7-6-13-12(17)10-4-5-11(16)15(3)14-10/h4-5,9H,6-8H2,1-3H3,(H,13,17)
InChIKeyJWJOBLGXQKHCEF-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.42
Rot. Bonds6

About 1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide

1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 74235415) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide
PubChem CID74235415
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCC(C)CS(=O)(=O)CCNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H19N3O4S/c1-9(2)8-20(18,19)7-6-13-12(17)10-4-5-11(16)15(3)14-10/h4-5,9H,6-8H2,1-3H3,(H,13,17)
InChIKeyJWJOBLGXQKHCEF-UHFFFAOYSA-N
XLogP-0.42
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide (CID 74235415) is 1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide is CC(C)CS(=O)(=O)CCNC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of 1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is JWJOBLGXQKHCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-9(2)8-20(18,19)7-6-13-12(17)10-4-5-11(16)15(3)14-10/h4-5,9H,6-8H2,1-3H3,(H,13,17).
What are the key properties of 1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide?
1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of -0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 74235415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).