3-methyl-6-oxo-1H-pyridazine-5-carbothioamide

C6H7N3OS — CID 82442546

IUPAC3-methyl-6-oxo-1H-pyridazine-5-carbothioamide
SMILESCc1cc(C(N)=S)c(=O)[nH]n1
InChIInChI=1S/C6H7N3OS/c1-3-2-4(5(7)11)6(10)9-8-3/h2H,1H3,(H2,7,11)(H,9,10)
InChIKeyZUTLFOJRBMIFGZ-UHFFFAOYSA-N
MW169.21 g/mol
LogP-0.29
Rot. Bonds1

About 3-methyl-6-oxo-1H-pyridazine-5-carbothioamide

3-methyl-6-oxo-1H-pyridazine-5-carbothioamide (PubChem CID 82442546) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is 3-methyl-6-oxo-1H-pyridazine-5-carbothioamide.

Molecular Properties

Compound Name3-methyl-6-oxo-1H-pyridazine-5-carbothioamide
PubChem CID82442546
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name3-methyl-6-oxo-1H-pyridazine-5-carbothioamide
SMILESCc1cc(C(N)=S)c(=O)[nH]n1
InChIInChI=1S/C6H7N3OS/c1-3-2-4(5(7)11)6(10)9-8-3/h2H,1H3,(H2,7,11)(H,9,10)
InChIKeyZUTLFOJRBMIFGZ-UHFFFAOYSA-N
XLogP-0.29
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-oxo-1H-pyridazine-5-carbothioamide?
The IUPAC name of 3-methyl-6-oxo-1H-pyridazine-5-carbothioamide (CID 82442546) is 3-methyl-6-oxo-1H-pyridazine-5-carbothioamide.
What is the SMILES notation for 3-methyl-6-oxo-1H-pyridazine-5-carbothioamide?
The canonical SMILES for 3-methyl-6-oxo-1H-pyridazine-5-carbothioamide is Cc1cc(C(N)=S)c(=O)[nH]n1.
What is the InChIKey of 3-methyl-6-oxo-1H-pyridazine-5-carbothioamide?
The InChIKey is ZUTLFOJRBMIFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c1-3-2-4(5(7)11)6(10)9-8-3/h2H,1H3,(H2,7,11)(H,9,10).
What are the key properties of 3-methyl-6-oxo-1H-pyridazine-5-carbothioamide?
3-methyl-6-oxo-1H-pyridazine-5-carbothioamide has a molecular weight of 169.21 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-oxo-1H-pyridazine-5-carbothioamide is sourced from PubChem (CID 82442546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).