5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide

C12H14N4O2S — CID 106549176

IUPAC5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCc1cnn(Cc2cc(C(=O)NN)sc2C)c(=O)c1
InChIInChI=1S/C12H14N4O2S/c1-7-3-11(17)16(14-5-7)6-9-4-10(12(18)15-13)19-8(9)2/h3-5H,6,13H2,1-2H3,(H,15,18)
InChIKeyFIIQUIWORSYOMZ-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.57
Rot. Bonds3

About 5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide

5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 106549176) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID106549176
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCc1cnn(Cc2cc(C(=O)NN)sc2C)c(=O)c1
InChIInChI=1S/C12H14N4O2S/c1-7-3-11(17)16(14-5-7)6-9-4-10(12(18)15-13)19-8(9)2/h3-5H,6,13H2,1-2H3,(H,15,18)
InChIKeyFIIQUIWORSYOMZ-UHFFFAOYSA-N
XLogP0.57
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide (CID 106549176) is 5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide is Cc1cnn(Cc2cc(C(=O)NN)sc2C)c(=O)c1.
What is the InChIKey of 5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is FIIQUIWORSYOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-3-11(17)16(14-5-7)6-9-4-10(12(18)15-13)19-8(9)2/h3-5H,6,13H2,1-2H3,(H,15,18).
What are the key properties of 5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide?
5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 278.34 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 106549176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).