1-benzyl-4-decyltriazole

C19H29N3 — CID 46204132

IUPAC1-benzyl-4-decyltriazole
SMILESCCCCCCCCCCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H29N3/c1-2-3-4-5-6-7-8-12-15-19-17-22(21-20-19)16-18-13-10-9-11-14-18/h9-11,13-14,17H,2-8,12,15-16H2,1H3
InChIKeyQUQOYEQXTSAKAT-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.01
Rot. Bonds11

About 1-benzyl-4-decyltriazole

1-benzyl-4-decyltriazole (PubChem CID 46204132) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-benzyl-4-decyltriazole.

Molecular Properties

Compound Name1-benzyl-4-decyltriazole
PubChem CID46204132
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name1-benzyl-4-decyltriazole
SMILESCCCCCCCCCCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H29N3/c1-2-3-4-5-6-7-8-12-15-19-17-22(21-20-19)16-18-13-10-9-11-14-18/h9-11,13-14,17H,2-8,12,15-16H2,1H3
InChIKeyQUQOYEQXTSAKAT-UHFFFAOYSA-N
XLogP5.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.01
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-benzyl-4-decyltriazole?
The IUPAC name of 1-benzyl-4-decyltriazole (CID 46204132) is 1-benzyl-4-decyltriazole.
What is the SMILES notation for 1-benzyl-4-decyltriazole?
The canonical SMILES for 1-benzyl-4-decyltriazole is CCCCCCCCCCc1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-4-decyltriazole?
The InChIKey is QUQOYEQXTSAKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-2-3-4-5-6-7-8-12-15-19-17-22(21-20-19)16-18-13-10-9-11-14-18/h9-11,13-14,17H,2-8,12,15-16H2,1H3.
What are the key properties of 1-benzyl-4-decyltriazole?
1-benzyl-4-decyltriazole has a molecular weight of 299.46 g/mol, XLogP of 5.01, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-decyltriazole is sourced from PubChem (CID 46204132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).