2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide

C9H13N5O2S — CID 106338532

IUPAC2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1nnccc1C#N
InChIInChI=1S/C9H13N5O2S/c1-14(2)17(15,16)6-5-11-9-8(7-10)3-4-12-13-9/h3-4H,5-6H2,1-2H3,(H,11,13)
InChIKeyNHHHULMSAOYAOL-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.35
Rot. Bonds5

About 2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide

2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 106338532) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID106338532
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1nnccc1C#N
InChIInChI=1S/C9H13N5O2S/c1-14(2)17(15,16)6-5-11-9-8(7-10)3-4-12-13-9/h3-4H,5-6H2,1-2H3,(H,11,13)
InChIKeyNHHHULMSAOYAOL-UHFFFAOYSA-N
XLogP-0.35
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile
CID 80510566
3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
CID 80509197
methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate
CID 80510253
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
2-(2-cyano-5-methylanilino)-N,N-dimethylethanesulfonamide
CID 106338578
3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80510280
3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80514883
2-(4-bromo-2-cyanoanilino)-N,N-dimethylethanesulfonamide
CID 106338562
7-[(4-cyanopyridazin-3-yl)amino]heptanoic acid
CID 80508044

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide (CID 106338532) is 2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNc1nnccc1C#N.
What is the InChIKey of 2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is NHHHULMSAOYAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-14(2)17(15,16)6-5-11-9-8(7-10)3-4-12-13-9/h3-4H,5-6H2,1-2H3,(H,11,13).
What are the key properties of 2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 255.30 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106338532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).