6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine

C19H36N2 — CID 123368553

IUPAC6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine
SMILESCC(C)CCCCCCC1=CCC=NN1CCCC(C)C
InChIInChI=1S/C19H36N2/c1-17(2)11-7-5-6-8-13-19-14-9-15-20-21(19)16-10-12-18(3)4/h14-15,17-18H,5-13,16H2,1-4H3
InChIKeyYGVTVXWYYKPKLR-UHFFFAOYSA-N
MW292.51 g/mol
LogP5.99
Rot. Bonds11

About 6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine

6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine (PubChem CID 123368553) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine.

Molecular Properties

Compound Name6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine
PubChem CID123368553
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine
SMILESCC(C)CCCCCCC1=CCC=NN1CCCC(C)C
InChIInChI=1S/C19H36N2/c1-17(2)11-7-5-6-8-13-19-14-9-15-20-21(19)16-10-12-18(3)4/h14-15,17-18H,5-13,16H2,1-4H3
InChIKeyYGVTVXWYYKPKLR-UHFFFAOYSA-N
XLogP5.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine?
The IUPAC name of 6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine (CID 123368553) is 6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine.
What is the SMILES notation for 6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine?
The canonical SMILES for 6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine is CC(C)CCCCCCC1=CCC=NN1CCCC(C)C.
What is the InChIKey of 6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine?
The InChIKey is YGVTVXWYYKPKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-17(2)11-7-5-6-8-13-19-14-9-15-20-21(19)16-10-12-18(3)4/h14-15,17-18H,5-13,16H2,1-4H3.
What are the key properties of 6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine?
6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine has a molecular weight of 292.51 g/mol, XLogP of 5.99, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methyloctyl)-1-(4-methylpentyl)-4H-pyridazine is sourced from PubChem (CID 123368553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).