2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide

C7H9N3OS — CID 106548704

IUPAC2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide
SMILESCc1cnn(CC(N)=S)c(=O)c1
InChIInChI=1S/C7H9N3OS/c1-5-2-7(11)10(9-3-5)4-6(8)12/h2-3H,4H2,1H3,(H2,8,12)
InChIKeyHZSDJTJQDCRYTI-UHFFFAOYSA-N
MW183.24 g/mol
LogP-0.16
Rot. Bonds2

About 2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide

2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide (PubChem CID 106548704) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide
PubChem CID106548704
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide
SMILESCc1cnn(CC(N)=S)c(=O)c1
InChIInChI=1S/C7H9N3OS/c1-5-2-7(11)10(9-3-5)4-6(8)12/h2-3H,4H2,1H3,(H2,8,12)
InChIKeyHZSDJTJQDCRYTI-UHFFFAOYSA-N
XLogP-0.16
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-Trifluoro-2-[(4-methyl-6-oxopyridazin-1-yl)methyl]propanethioamide
CID 106548702
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
2-(6-Oxopyridazin-1-yl)ethanethioamide
CID 62848733
2-(2-Aminoethyl)-5-methylpyridazin-3-one
CID 106548334
2-[2-(Ethylamino)ethyl]-5-methylpyridazin-3-one
CID 106548537
5-Methyl-2-[2-(methylamino)ethyl]pyridazin-3-one
CID 106548573
2-Methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanethioamide
CID 106548712
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methyl-6-oxopyridazin-1-yl)acetamide
CID 106548713
5-(4-Methyl-6-oxopyridazin-1-yl)pentanethioamide
CID 106548716
4-(4-Methyl-6-oxopyridazin-1-yl)butanethioamide
CID 106548721
3-(4-Methyl-6-oxopyridazin-1-yl)propanethioamide
CID 106548723
2,2-Dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanethioamide
CID 106548731

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide?
The IUPAC name of 2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide (CID 106548704) is 2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide.
What is the SMILES notation for 2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide?
The canonical SMILES for 2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide is Cc1cnn(CC(N)=S)c(=O)c1.
What is the InChIKey of 2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide?
The InChIKey is HZSDJTJQDCRYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-5-2-7(11)10(9-3-5)4-6(8)12/h2-3H,4H2,1H3,(H2,8,12).
What are the key properties of 2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide?
2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide has a molecular weight of 183.24 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyridazin-1-yl)ethanethioamide is sourced from PubChem (CID 106548704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).