1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide

C7H8N4O2S — CID 106833724

IUPAC1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide
SMILESN#CCS(=O)(=O)NCc1cccnn1
InChIInChI=1S/C7H8N4O2S/c8-3-5-14(12,13)10-6-7-2-1-4-9-11-7/h1-2,4,10H,5-6H2
InChIKeyUCCGDNURGQOTOE-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.58
Rot. Bonds4

About 1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide

1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide (PubChem CID 106833724) has the molecular formula C7H8N4O2S and a molecular weight of 212.23 g/mol. Its IUPAC name is 1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide
PubChem CID106833724
Molecular FormulaC7H8N4O2S
Molecular Weight212.23 g/mol
Exact Mass212.04
IUPAC Name1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide
SMILESN#CCS(=O)(=O)NCc1cccnn1
InChIInChI=1S/C7H8N4O2S/c8-3-5-14(12,13)10-6-7-2-1-4-9-11-7/h1-2,4,10H,5-6H2
InChIKeyUCCGDNURGQOTOE-UHFFFAOYSA-N
XLogP-0.58
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide (CID 106833724) is 1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide is N#CCS(=O)(=O)NCc1cccnn1.
What is the InChIKey of 1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide?
The InChIKey is UCCGDNURGQOTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S/c8-3-5-14(12,13)10-6-7-2-1-4-9-11-7/h1-2,4,10H,5-6H2.
What are the key properties of 1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide?
1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide has a molecular weight of 212.23 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(pyridazin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 106833724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).