4,5-dihexyl-3,6-dimethylpyridazine

C18H32N2 — CID 58250570

IUPAC4,5-dihexyl-3,6-dimethylpyridazine
SMILESCCCCCCc1c(C)nnc(C)c1CCCCCC
InChIInChI=1S/C18H32N2/c1-5-7-9-11-13-17-15(3)19-20-16(4)18(17)14-12-10-8-6-2/h5-14H2,1-4H3
InChIKeyLQVVANKSPHGDIO-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.34
Rot. Bonds10

About 4,5-dihexyl-3,6-dimethylpyridazine

4,5-dihexyl-3,6-dimethylpyridazine (PubChem CID 58250570) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4,5-dihexyl-3,6-dimethylpyridazine.

Molecular Properties

Compound Name4,5-dihexyl-3,6-dimethylpyridazine
PubChem CID58250570
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4,5-dihexyl-3,6-dimethylpyridazine
SMILESCCCCCCc1c(C)nnc(C)c1CCCCCC
InChIInChI=1S/C18H32N2/c1-5-7-9-11-13-17-15(3)19-20-16(4)18(17)14-12-10-8-6-2/h5-14H2,1-4H3
InChIKeyLQVVANKSPHGDIO-UHFFFAOYSA-N
XLogP5.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.34
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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Related Compounds

3-hexadecyl-5,6-dimethyl-1,2,4-triazine
CID 134998766
5-heptyl-6-methylpyrimidin-3-ium-2,4-diamine
CID 5260123
2,5-dihexyl-1,3-dimethylbenzene
CID 123511900
2-hexyl-3,5,6-trimethylbenzene-1,4-diol
CID 54410665
2,3-di(icosyl)bicyclo[2.2.0]hexa-1(4),2,5-triene
CID 175202039
4-methyl-2,6-dioctylpyridine
CID 66935754
4,5,6-trioctylpyrimidine
CID 91147699
4-methyl-5-octyl-2H-triazole
CID 21337908
4,5,6-tri(nonadecyl)pyrimidine
CID 91803097
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
4,5,6-tri(docosyl)-2-propylpyrimidine
CID 90898493
2-heptyl-5-methyl-1,3,4-thiadiazole
CID 139417384

Frequently Asked Questions

What is the IUPAC name of 4,5-dihexyl-3,6-dimethylpyridazine?
The IUPAC name of 4,5-dihexyl-3,6-dimethylpyridazine (CID 58250570) is 4,5-dihexyl-3,6-dimethylpyridazine.
What is the SMILES notation for 4,5-dihexyl-3,6-dimethylpyridazine?
The canonical SMILES for 4,5-dihexyl-3,6-dimethylpyridazine is CCCCCCc1c(C)nnc(C)c1CCCCCC.
What is the InChIKey of 4,5-dihexyl-3,6-dimethylpyridazine?
The InChIKey is LQVVANKSPHGDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-7-9-11-13-17-15(3)19-20-16(4)18(17)14-12-10-8-6-2/h5-14H2,1-4H3.
What are the key properties of 4,5-dihexyl-3,6-dimethylpyridazine?
4,5-dihexyl-3,6-dimethylpyridazine has a molecular weight of 276.47 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihexyl-3,6-dimethylpyridazine is sourced from PubChem (CID 58250570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).