N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide

C11H16N4OS — CID 133329365

IUPACN-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCSC(C)C2)nn1
InChIInChI=1S/C11H16N4OS/c1-8-7-15(5-6-17-8)10-4-3-9(13-14-10)11(16)12-2/h3-4,8H,5-7H2,1-2H3,(H,12,16)
InChIKeyAFBBAEZSEBAASK-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.78
Rot. Bonds2

About N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide

N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide (PubChem CID 133329365) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide
PubChem CID133329365
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCSC(C)C2)nn1
InChIInChI=1S/C11H16N4OS/c1-8-7-15(5-6-17-8)10-4-3-9(13-14-10)11(16)12-2/h3-4,8H,5-7H2,1-2H3,(H,12,16)
InChIKeyAFBBAEZSEBAASK-UHFFFAOYSA-N
XLogP0.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329265
6-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-N-methylpyridazine-3-carboxamide
CID 96566216
N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide
CID 133342994
6-[2-(1-aminoethyl)morpholin-4-yl]-N-methylpyridazine-3-carboxamide
CID 115315974
6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133356029
N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide
CID 97326064
6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133339812
N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133343097
6-[2-(2-fluorophenyl)morpholin-4-yl]-N-methylpyridazine-3-carboxamide
CID 133343718
N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133458571
N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 113282123
6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 99857965

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide (CID 133329365) is N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCSC(C)C2)nn1.
What is the InChIKey of N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide?
The InChIKey is AFBBAEZSEBAASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8-7-15(5-6-17-8)10-4-3-9(13-14-10)11(16)12-2/h3-4,8H,5-7H2,1-2H3,(H,12,16).
What are the key properties of N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide?
N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 133329365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).