methyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate

C13H10N6O3S — CID 71805169

IUPACmethyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C13H10N6O3S/c1-22-13(21)11-8(4-5-23-11)16-12(20)9-2-3-10(18-17-9)19-7-14-6-15-19/h2-7H,1H3,(H,16,20)
InChIKeyQDXZOHBOSFAKHI-UHFFFAOYSA-N
MW330.33 g/mol
LogP1.16
Rot. Bonds4

About methyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate

methyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 71805169) has the molecular formula C13H10N6O3S and a molecular weight of 330.33 g/mol. Its IUPAC name is methyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate
PubChem CID71805169
Molecular FormulaC13H10N6O3S
Molecular Weight330.33 g/mol
Exact Mass330.05
IUPAC Namemethyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C13H10N6O3S/c1-22-13(21)11-8(4-5-23-11)16-12(20)9-2-3-10(18-17-9)19-7-14-6-15-19/h2-7H,1H3,(H,16,20)
InChIKeyQDXZOHBOSFAKHI-UHFFFAOYSA-N
XLogP1.16
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

Methyl 3-{[(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)carbonyl]amino}-2-thiophenecarboxylate
CID 2768085
N-(2-(thiophen-2-yl)ethyl)-6-(1H-1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805171
methyl 2-(6-(1H-1,2,4-triazol-1-yl)pyridazine-3-carboxamido)thiophene-3-carboxylate
CID 71805174
ethyl 2-(6-(1H-1,2,4-triazol-1-yl)pyridazine-3-carboxamido)-4-methylthiazole-5-carboxylate
CID 71805183
methyl 3-(1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)piperidine-3-carboxamido)thiophene-2-carboxylate
CID 72719824
Methyl 3-(6-(piperidin-1-yl)pyrimidine-4-carboxamido)thiophene-2-carboxylate
CID 91628646
methyl 3-({[1-(2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}amino)-2-thiophenecarboxylate
CID 91885837
Methyl 3-({[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-2-thiophenecarboxylate
CID 156585339
Methyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate
CID 57449025
Methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylthiophene-2-carboxylate
CID 156103222
Methyl 3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]thiophene-2-carboxylate
CID 2480016
Methyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate
CID 19416932

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate (CID 71805169) is methyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccc(-n2cncn2)nn1.
What is the InChIKey of methyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is QDXZOHBOSFAKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O3S/c1-22-13(21)11-8(4-5-23-11)16-12(20)9-2-3-10(18-17-9)19-7-14-6-15-19/h2-7H,1H3,(H,16,20).
What are the key properties of methyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate?
methyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 330.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(1,2,4-triazol-1-yl)pyridazine-3-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 71805169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).