N-(pyridazin-3-ylmethylsulfanyl)formamide

C6H7N3OS — CID 23498640

IUPACN-(pyridazin-3-ylmethylsulfanyl)formamide
SMILESO=CNSCc1cccnn1
InChIInChI=1S/C6H7N3OS/c10-5-8-11-4-6-2-1-3-7-9-6/h1-3,5H,4H2,(H,8,10)
InChIKeyKUYWSLAJFFCXKU-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.37
Rot. Bonds4

About N-(pyridazin-3-ylmethylsulfanyl)formamide

N-(pyridazin-3-ylmethylsulfanyl)formamide (PubChem CID 23498640) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethylsulfanyl)formamide.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethylsulfanyl)formamide
PubChem CID23498640
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC NameN-(pyridazin-3-ylmethylsulfanyl)formamide
SMILESO=CNSCc1cccnn1
InChIInChI=1S/C6H7N3OS/c10-5-8-11-4-6-2-1-3-7-9-6/h1-3,5H,4H2,(H,8,10)
InChIKeyKUYWSLAJFFCXKU-UHFFFAOYSA-N
XLogP0.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-3-ylmethylsulfanyl)formamide?
The IUPAC name of N-(pyridazin-3-ylmethylsulfanyl)formamide (CID 23498640) is N-(pyridazin-3-ylmethylsulfanyl)formamide.
What is the SMILES notation for N-(pyridazin-3-ylmethylsulfanyl)formamide?
The canonical SMILES for N-(pyridazin-3-ylmethylsulfanyl)formamide is O=CNSCc1cccnn1.
What is the InChIKey of N-(pyridazin-3-ylmethylsulfanyl)formamide?
The InChIKey is KUYWSLAJFFCXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c10-5-8-11-4-6-2-1-3-7-9-6/h1-3,5H,4H2,(H,8,10).
What are the key properties of N-(pyridazin-3-ylmethylsulfanyl)formamide?
N-(pyridazin-3-ylmethylsulfanyl)formamide has a molecular weight of 169.21 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethylsulfanyl)formamide is sourced from PubChem (CID 23498640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).