2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide

C19H20N10O3 — CID 71805269

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CC(=O)NCCn3nc(-n4cncn4)ccc3=O)n2)n1
InChIInChI=1S/C19H20N10O3/c1-13-9-14(2)29(23-13)16-4-6-19(32)27(25-16)10-17(30)21-7-8-26-18(31)5-3-15(24-26)28-12-20-11-22-28/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,21,30)
InChIKeyHBHMZVOLIOGXSX-UHFFFAOYSA-N
MW436.44 g/mol
LogP-1.00
Rot. Bonds7

About 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide (PubChem CID 71805269) has the molecular formula C19H20N10O3 and a molecular weight of 436.44 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
PubChem CID71805269
Molecular FormulaC19H20N10O3
Molecular Weight436.44 g/mol
Exact Mass436.17
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CC(=O)NCCn3nc(-n4cncn4)ccc3=O)n2)n1
InChIInChI=1S/C19H20N10O3/c1-13-9-14(2)29(23-13)16-4-6-19(32)27(25-16)10-17(30)21-7-8-26-18(31)5-3-15(24-26)28-12-20-11-22-28/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,21,30)
InChIKeyHBHMZVOLIOGXSX-UHFFFAOYSA-N
XLogP-1.00
TPSA147.41 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide (CID 71805269) is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide is Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NCCn3nc(-n4cncn4)ccc3=O)n2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide?
The InChIKey is HBHMZVOLIOGXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N10O3/c1-13-9-14(2)29(23-13)16-4-6-19(32)27(25-16)10-17(30)21-7-8-26-18(31)5-3-15(24-26)28-12-20-11-22-28/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,21,30).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide?
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide has a molecular weight of 436.44 g/mol, XLogP of -1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 71805269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).