6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

C16H20N6O2S — CID 42794204

About 6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 42794204) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
• PubChem CID: 42794204
• Molecular Formula: C16H20N6O2S
• Molecular Weight: 360.44 g/mol
• Exact Mass: 360.14
• IUPAC Name: 6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
• SMILES: Cc1nn(C)c(C)c1CN(Cc1nccs1)C(=O)C1=NNC(=O)CC1
• InChI: InChI=1S/C16H20N6O2S/c1-10-12(11(2)21(3)20-10)8-22(9-15-17-6-7-25-15)16(24)13-4-5-14(23)19-18-13/h6-7H,4-5,8-9H2,1-3H3,(H,19,23)
• InChIKey: WGVDHNMJUSYZGK-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 92.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.44
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?

The IUPAC name of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 42794204) is 6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

What is the SMILES notation for 6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?

The canonical SMILES for 6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1nn(C)c(C)c1CN(Cc1nccs1)C(=O)C1=NNC(=O)CC1.

What is the InChIKey of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?

The InChIKey is WGVDHNMJUSYZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-10-12(11(2)21(3)20-10)8-22(9-15-17-6-7-25-15)16(24)13-4-5-14(23)19-18-13/h6-7H,4-5,8-9H2,1-3H3,(H,19,23).

What are the key properties of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?

6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 42794204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).