1-(7-methyloctyl)-5-(4-methylpentyl)triazole

C17H33N3 — CID 59827225

IUPAC1-(7-methyloctyl)-5-(4-methylpentyl)triazole
SMILESCC(C)CCCCCCn1nncc1CCCC(C)C
InChIInChI=1S/C17H33N3/c1-15(2)10-7-5-6-8-13-20-17(14-18-19-20)12-9-11-16(3)4/h14-16H,5-13H2,1-4H3
InChIKeyMXKHBPGXBLJPOC-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.86
Rot. Bonds11

About 1-(7-methyloctyl)-5-(4-methylpentyl)triazole

1-(7-methyloctyl)-5-(4-methylpentyl)triazole (PubChem CID 59827225) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(7-methyloctyl)-5-(4-methylpentyl)triazole.

Molecular Properties

Compound Name1-(7-methyloctyl)-5-(4-methylpentyl)triazole
PubChem CID59827225
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(7-methyloctyl)-5-(4-methylpentyl)triazole
SMILESCC(C)CCCCCCn1nncc1CCCC(C)C
InChIInChI=1S/C17H33N3/c1-15(2)10-7-5-6-8-13-20-17(14-18-19-20)12-9-11-16(3)4/h14-16H,5-13H2,1-4H3
InChIKeyMXKHBPGXBLJPOC-UHFFFAOYSA-N
XLogP4.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.86
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 1-(7-methyloctyl)-5-(4-methylpentyl)triazole?
The IUPAC name of 1-(7-methyloctyl)-5-(4-methylpentyl)triazole (CID 59827225) is 1-(7-methyloctyl)-5-(4-methylpentyl)triazole.
What is the SMILES notation for 1-(7-methyloctyl)-5-(4-methylpentyl)triazole?
The canonical SMILES for 1-(7-methyloctyl)-5-(4-methylpentyl)triazole is CC(C)CCCCCCn1nncc1CCCC(C)C.
What is the InChIKey of 1-(7-methyloctyl)-5-(4-methylpentyl)triazole?
The InChIKey is MXKHBPGXBLJPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-15(2)10-7-5-6-8-13-20-17(14-18-19-20)12-9-11-16(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of 1-(7-methyloctyl)-5-(4-methylpentyl)triazole?
1-(7-methyloctyl)-5-(4-methylpentyl)triazole has a molecular weight of 279.47 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyloctyl)-5-(4-methylpentyl)triazole is sourced from PubChem (CID 59827225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).