6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide

C12H15N5O2S — CID 116787796

IUPAC6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2cccnn2)cn1
InChIInChI=1S/C12H15N5O2S/c1-2-7-13-11-6-5-10(9-14-11)20(18,19)17-12-4-3-8-15-16-12/h3-6,8-9H,2,7H2,1H3,(H,13,14)(H,16,17)
InChIKeyMCWHOQGMFPNRIE-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.49
Rot. Bonds6

About 6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide

6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide (PubChem CID 116787796) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
PubChem CID116787796
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2cccnn2)cn1
InChIInChI=1S/C12H15N5O2S/c1-2-7-13-11-6-5-10(9-14-11)20(18,19)17-12-4-3-8-15-16-12/h3-6,8-9H,2,7H2,1H3,(H,13,14)(H,16,17)
InChIKeyMCWHOQGMFPNRIE-UHFFFAOYSA-N
XLogP1.49
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787805
6-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
CID 62147379
N-(2-iodophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143908
6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
CID 114914131
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
N-(4-methyl-3-pyridinyl)-6-(propylamino)pyridine-3-sulfonamide
CID 63328166
N-benzyl-6-(propylamino)pyridine-3-sulfonamide
CID 62148374
6-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389293
6-(propylamino)-N-(1H-pyrazol-4-yl)pyridine-3-sulfonamide
CID 62147845
6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354410
4-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921
N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143390

Frequently Asked Questions

What is the IUPAC name of 6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide?
The IUPAC name of 6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide (CID 116787796) is 6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)Nc2cccnn2)cn1.
What is the InChIKey of 6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide?
The InChIKey is MCWHOQGMFPNRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-2-7-13-11-6-5-10(9-14-11)20(18,19)17-12-4-3-8-15-16-12/h3-6,8-9H,2,7H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide?
6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide is sourced from PubChem (CID 116787796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).