2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide

C20H17N7O2 — CID 3224445

IUPAC2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(-n3cnnn3)cc2)n1
InChIInChI=1S/C20H17N7O2/c1-14-4-2-3-5-17(14)18-10-11-20(29)26(23-18)12-19(28)22-15-6-8-16(9-7-15)27-13-21-24-25-27/h2-11,13H,12H2,1H3,(H,22,28)
InChIKeyYTOSHTLBQBRSKC-UHFFFAOYSA-N
MW387.40 g/mol
LogP1.83
Rot. Bonds5

About 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 3224445) has the molecular formula C20H17N7O2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID3224445
Molecular FormulaC20H17N7O2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC Name2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(-n3cnnn3)cc2)n1
InChIInChI=1S/C20H17N7O2/c1-14-4-2-3-5-17(14)18-10-11-20(29)26(23-18)12-19(28)22-15-6-8-16(9-7-15)27-13-21-24-25-27/h2-11,13H,12H2,1H3,(H,22,28)
InChIKeyYTOSHTLBQBRSKC-UHFFFAOYSA-N
XLogP1.83
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 3224445) is 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is Cc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(-n3cnnn3)cc2)n1.
What is the InChIKey of 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is YTOSHTLBQBRSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2/c1-14-4-2-3-5-17(14)18-10-11-20(29)26(23-18)12-19(28)22-15-6-8-16(9-7-15)27-13-21-24-25-27/h2-11,13H,12H2,1H3,(H,22,28).
What are the key properties of 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 387.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 3224445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).