1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide

C6H6N4O3S — CID 116787102

IUPAC1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide
SMILESN#CCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C6H6N4O3S/c7-3-4-14(12,13)10-5-1-2-6(11)9-8-5/h1-2H,4H2,(H,8,10)(H,9,11)
InChIKeyUFAAUNDTPWJWTQ-UHFFFAOYSA-N
MW214.21 g/mol
LogP-0.96
Rot. Bonds3

About 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide

1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide (PubChem CID 116787102) has the molecular formula C6H6N4O3S and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide
PubChem CID116787102
Molecular FormulaC6H6N4O3S
Molecular Weight214.21 g/mol
Exact Mass214.02
IUPAC Name1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide
SMILESN#CCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C6H6N4O3S/c7-3-4-14(12,13)10-5-1-2-6(11)9-8-5/h1-2H,4H2,(H,8,10)(H,9,11)
InChIKeyUFAAUNDTPWJWTQ-UHFFFAOYSA-N
XLogP-0.96
TPSA115.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide (CID 116787102) is 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide is N#CCS(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide?
The InChIKey is UFAAUNDTPWJWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O3S/c7-3-4-14(12,13)10-5-1-2-6(11)9-8-5/h1-2H,4H2,(H,8,10)(H,9,11).
What are the key properties of 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide?
1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide has a molecular weight of 214.21 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide is sourced from PubChem (CID 116787102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).