6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine

C9H13N3O2S — CID 117105276

IUPAC6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine
SMILESNc1ccc(CC2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C9H13N3O2S/c10-9-2-1-8(11-12-9)5-7-3-4-15(13,14)6-7/h1-2,7H,3-6H2,(H2,10,12)
InChIKeyAEILJDLCDHBXFK-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.04
Rot. Bonds2

About 6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine

6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine (PubChem CID 117105276) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine
PubChem CID117105276
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine
SMILESNc1ccc(CC2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C9H13N3O2S/c10-9-2-1-8(11-12-9)5-7-3-4-15(13,14)6-7/h1-2,7H,3-6H2,(H2,10,12)
InChIKeyAEILJDLCDHBXFK-UHFFFAOYSA-N
XLogP0.04
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethylsulfonyl-3-phenylpyrazol-5-amine
CID 5307362
3-Phenyl-1-propylsulfonylpyrazol-5-amine
CID 9551532
[6-[4-(Methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine
CID 58118988
N-(6-propylpyridazin-3-yl)methanesulfonamide
CID 59156598
6-[[3-(5-Methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]pyridazin-3-amine
CID 146202165
6-(1-Methylsulfanylpropyl)pyridazin-3-amine
CID 147484585
N-(6-methylpyridazin-3-yl)propane-2-sulfonamide
CID 153986250
4-[(6-Aminopyridazin-3-yl)methylsulfonyl]butanenitrile
CID 175828434
6-(4-Methylsulfonylphenyl)pyridazin-3-amine
CID 62202678
3-amino-5H,7H,8H-6lambda6-thiopyrano[4,3-c]pyridazine-6,6-dione
CID 62784591
7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
CID 65046927
6,6-dioxo-5H-thiochromeno[4,3-c]pyridazin-3-amine
CID 81663270

Frequently Asked Questions

What is the IUPAC name of 6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine?
The IUPAC name of 6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine (CID 117105276) is 6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine is Nc1ccc(CC2CCS(=O)(=O)C2)nn1.
What is the InChIKey of 6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine?
The InChIKey is AEILJDLCDHBXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-9-2-1-8(11-12-9)5-7-3-4-15(13,14)6-7/h1-2,7H,3-6H2,(H2,10,12).
What are the key properties of 6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine?
6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine has a molecular weight of 227.29 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,1-dioxothiolan-3-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 117105276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).