5-hexyl-1-(6-methylheptyl)triazole

C16H31N3 — CID 126566666

IUPAC5-hexyl-1-(6-methylheptyl)triazole
SMILESCCCCCCc1cnnn1CCCCCC(C)C
InChIInChI=1S/C16H31N3/c1-4-5-6-9-12-16-14-17-18-19(16)13-10-7-8-11-15(2)3/h14-15H,4-13H2,1-3H3
InChIKeyUCGHMGGNMBTPGA-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.62
Rot. Bonds11

About 5-hexyl-1-(6-methylheptyl)triazole

5-hexyl-1-(6-methylheptyl)triazole (PubChem CID 126566666) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 5-hexyl-1-(6-methylheptyl)triazole.

Molecular Properties

Compound Name5-hexyl-1-(6-methylheptyl)triazole
PubChem CID126566666
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name5-hexyl-1-(6-methylheptyl)triazole
SMILESCCCCCCc1cnnn1CCCCCC(C)C
InChIInChI=1S/C16H31N3/c1-4-5-6-9-12-16-14-17-18-19(16)13-10-7-8-11-15(2)3/h14-15H,4-13H2,1-3H3
InChIKeyUCGHMGGNMBTPGA-UHFFFAOYSA-N
XLogP4.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.62
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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Related Compounds

5-butyl-1-(7-methyloctyl)triazole
CID 69281455
1-(9-methyldecyl)-5-(4-methylpentyl)triazole
CID 121260609
1-(7-methyloctyl)-5-(4-methylpentyl)triazole
CID 59827225
5-(3-methylbutyl)-1-(8-methylnonyl)triazole
CID 59827215
4-[5-(6-methylheptyl)triazol-1-yl]butane-1-thiol
CID 130380781
1-(3,4-dimethylpentyl)-5-(6-methylheptyl)triazole
CID 130380893
bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 158745845
1,5-bis(4-methylpentyl)triazole;bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 159044207
1,5-bis(4-methylpentyl)triazole;bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 159157538
5-heptyl-1-(2-methylpropyl)triazole
CID 126571203
5-(4-methylpentyl)-1-(6-methylsulfanylhexyl)triazole
CID 126566664
methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)
CID 160506972

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-1-(6-methylheptyl)triazole?
The IUPAC name of 5-hexyl-1-(6-methylheptyl)triazole (CID 126566666) is 5-hexyl-1-(6-methylheptyl)triazole.
What is the SMILES notation for 5-hexyl-1-(6-methylheptyl)triazole?
The canonical SMILES for 5-hexyl-1-(6-methylheptyl)triazole is CCCCCCc1cnnn1CCCCCC(C)C.
What is the InChIKey of 5-hexyl-1-(6-methylheptyl)triazole?
The InChIKey is UCGHMGGNMBTPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-5-6-9-12-16-14-17-18-19(16)13-10-7-8-11-15(2)3/h14-15H,4-13H2,1-3H3.
What are the key properties of 5-hexyl-1-(6-methylheptyl)triazole?
5-hexyl-1-(6-methylheptyl)triazole has a molecular weight of 265.44 g/mol, XLogP of 4.62, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-1-(6-methylheptyl)triazole is sourced from PubChem (CID 126566666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).