1-benzyl-4-pentyltriazole

C14H19N3 — CID 71590860

IUPAC1-benzyl-4-pentyltriazole
SMILESCCCCCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C14H19N3/c1-2-3-5-10-14-12-17(16-15-14)11-13-8-6-4-7-9-13/h4,6-9,12H,2-3,5,10-11H2,1H3
InChIKeyKARKIWPGKIOZDI-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.06
Rot. Bonds6

About 1-benzyl-4-pentyltriazole

1-benzyl-4-pentyltriazole (PubChem CID 71590860) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-benzyl-4-pentyltriazole.

Molecular Properties

Compound Name1-benzyl-4-pentyltriazole
PubChem CID71590860
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-benzyl-4-pentyltriazole
SMILESCCCCCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C14H19N3/c1-2-3-5-10-14-12-17(16-15-14)11-13-8-6-4-7-9-13/h4,6-9,12H,2-3,5,10-11H2,1H3
InChIKeyKARKIWPGKIOZDI-UHFFFAOYSA-N
XLogP3.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.06
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

1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole
CID 112717132
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
1-dodecyl-4-(2-phenylethyl)triazole
CID 56666794
4-pentyl-1-(phenylselanylmethyl)triazole
CID 102311784
1,4-dibenzyltriazole
CID 56663361
2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine
CID 112718307
N,N-bis[(1-benzyltriazol-4-yl)methyl]propan-1-amine
CID 118387790
2-(4-pentyltriazol-1-yl)-1-phenylethanone
CID 139241367
1-benzyl-4-[4-(4-methoxy-2-methylphenyl)butyl]triazole
CID 69346797
1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-pentyltriazole?
The IUPAC name of 1-benzyl-4-pentyltriazole (CID 71590860) is 1-benzyl-4-pentyltriazole.
What is the SMILES notation for 1-benzyl-4-pentyltriazole?
The canonical SMILES for 1-benzyl-4-pentyltriazole is CCCCCc1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-4-pentyltriazole?
The InChIKey is KARKIWPGKIOZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-3-5-10-14-12-17(16-15-14)11-13-8-6-4-7-9-13/h4,6-9,12H,2-3,5,10-11H2,1H3.
What are the key properties of 1-benzyl-4-pentyltriazole?
1-benzyl-4-pentyltriazole has a molecular weight of 229.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-pentyltriazole is sourced from PubChem (CID 71590860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).