3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile

C9H12N4O2S — CID 80510566

IUPAC3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile
SMILESCS(=O)(=O)CCCNc1nnccc1C#N
InChIInChI=1S/C9H12N4O2S/c1-16(14,15)6-2-4-11-9-8(7-10)3-5-12-13-9/h3,5H,2,4,6H2,1H3,(H,11,13)
InChIKeyYYGZZMWKPOHNIJ-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.19
Rot. Bonds5

About 3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile

3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile (PubChem CID 80510566) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile
PubChem CID80510566
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile
SMILESCS(=O)(=O)CCCNc1nnccc1C#N
InChIInChI=1S/C9H12N4O2S/c1-16(14,15)6-2-4-11-9-8(7-10)3-5-12-13-9/h3,5H,2,4,6H2,1H3,(H,11,13)
InChIKeyYYGZZMWKPOHNIJ-UHFFFAOYSA-N
XLogP0.19
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide
CID 106338532
methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate
CID 80510253
7-[(4-cyanopyridazin-3-yl)amino]heptanoic acid
CID 80508044
3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
CID 80509197
3-(3-phenoxypropylamino)pyridazine-4-carbonitrile
CID 80509509
3-[3-(2-methylpropoxy)propylamino]pyridazine-4-carbonitrile
CID 114097998
3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80514883
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
3-(2-phenylethylamino)pyridazine-4-carbonitrile
CID 80509461
3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile
CID 80510325
3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile
CID 80515860
3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80510280

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile (CID 80510566) is 3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile is CS(=O)(=O)CCCNc1nnccc1C#N.
What is the InChIKey of 3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile?
The InChIKey is YYGZZMWKPOHNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-16(14,15)6-2-4-11-9-8(7-10)3-5-12-13-9/h3,5H,2,4,6H2,1H3,(H,11,13).
What are the key properties of 3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile?
3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile has a molecular weight of 240.29 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).