2-methyl-6-tetradecan-7-ylpyridazin-3-one

C19H34N2O — CID 167050006

IUPAC2-methyl-6-tetradecan-7-ylpyridazin-3-one
SMILESCCCCCCCC(CCCCCC)c1ccc(=O)n(C)n1
InChIInChI=1S/C19H34N2O/c1-4-6-8-10-12-14-17(13-11-9-7-5-2)18-15-16-19(22)21(3)20-18/h15-17H,4-14H2,1-3H3
InChIKeyJTRBCJMXQIZTMQ-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.19
Rot. Bonds12

About 2-methyl-6-tetradecan-7-ylpyridazin-3-one

2-methyl-6-tetradecan-7-ylpyridazin-3-one (PubChem CID 167050006) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-methyl-6-tetradecan-7-ylpyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-tetradecan-7-ylpyridazin-3-one
PubChem CID167050006
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name2-methyl-6-tetradecan-7-ylpyridazin-3-one
SMILESCCCCCCCC(CCCCCC)c1ccc(=O)n(C)n1
InChIInChI=1S/C19H34N2O/c1-4-6-8-10-12-14-17(13-11-9-7-5-2)18-15-16-19(22)21(3)20-18/h15-17H,4-14H2,1-3H3
InChIKeyJTRBCJMXQIZTMQ-UHFFFAOYSA-N
XLogP5.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-tetradecan-7-ylpyridazin-3-one?
The IUPAC name of 2-methyl-6-tetradecan-7-ylpyridazin-3-one (CID 167050006) is 2-methyl-6-tetradecan-7-ylpyridazin-3-one.
What is the SMILES notation for 2-methyl-6-tetradecan-7-ylpyridazin-3-one?
The canonical SMILES for 2-methyl-6-tetradecan-7-ylpyridazin-3-one is CCCCCCCC(CCCCCC)c1ccc(=O)n(C)n1.
What is the InChIKey of 2-methyl-6-tetradecan-7-ylpyridazin-3-one?
The InChIKey is JTRBCJMXQIZTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-4-6-8-10-12-14-17(13-11-9-7-5-2)18-15-16-19(22)21(3)20-18/h15-17H,4-14H2,1-3H3.
What are the key properties of 2-methyl-6-tetradecan-7-ylpyridazin-3-one?
2-methyl-6-tetradecan-7-ylpyridazin-3-one has a molecular weight of 306.49 g/mol, XLogP of 5.19, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-tetradecan-7-ylpyridazin-3-one is sourced from PubChem (CID 167050006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).