4-pentyl-1-(phenylselanylmethyl)triazole

C14H19N3Se — CID 102311784

IUPAC4-pentyl-1-(phenylselanylmethyl)triazole
SMILESCCCCCc1cn(C[Se]c2ccccc2)nn1
InChIInChI=1S/C14H19N3Se/c1-2-3-5-8-13-11-17(16-15-13)12-18-14-9-6-4-7-10-14/h4,6-7,9-11H,2-3,5,8,12H2,1H3
InChIKeyUPUVLNCNWBXOCU-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.00
Rot. Bonds7

About 4-pentyl-1-(phenylselanylmethyl)triazole

4-pentyl-1-(phenylselanylmethyl)triazole (PubChem CID 102311784) has the molecular formula C14H19N3Se and a molecular weight of 308.29 g/mol. Its IUPAC name is 4-pentyl-1-(phenylselanylmethyl)triazole.

Molecular Properties

Compound Name4-pentyl-1-(phenylselanylmethyl)triazole
PubChem CID102311784
Molecular FormulaC14H19N3Se
Molecular Weight308.29 g/mol
Exact Mass309.07
IUPAC Name4-pentyl-1-(phenylselanylmethyl)triazole
SMILESCCCCCc1cn(C[Se]c2ccccc2)nn1
InChIInChI=1S/C14H19N3Se/c1-2-3-5-8-13-11-17(16-15-13)12-18-14-9-6-4-7-10-14/h4,6-7,9-11H,2-3,5,8,12H2,1H3
InChIKeyUPUVLNCNWBXOCU-UHFFFAOYSA-N
XLogP2.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(phenylselanylmethyl)-4-[3-[1-(phenylselanylmethyl)triazol-4-yl]propyl]triazole
CID 102311797
1-benzyl-4-pentyltriazole
CID 71590860
2-(4-pentyltriazol-1-yl)-1-phenylethanone
CID 139241367
1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784
1-dodecyl-4-(2-phenylethyl)triazole
CID 56666794
1-(2-methylpropyl)-4-octyltriazole
CID 163401173
2-(4-heptyltriazol-1-yl)ethanethiol
CID 130281012
4-butyl-1-phenyltriazole
CID 25191665
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-1-(phenylselanylmethyl)triazole?
The IUPAC name of 4-pentyl-1-(phenylselanylmethyl)triazole (CID 102311784) is 4-pentyl-1-(phenylselanylmethyl)triazole.
What is the SMILES notation for 4-pentyl-1-(phenylselanylmethyl)triazole?
The canonical SMILES for 4-pentyl-1-(phenylselanylmethyl)triazole is CCCCCc1cn(C[Se]c2ccccc2)nn1.
What is the InChIKey of 4-pentyl-1-(phenylselanylmethyl)triazole?
The InChIKey is UPUVLNCNWBXOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3Se/c1-2-3-5-8-13-11-17(16-15-13)12-18-14-9-6-4-7-10-14/h4,6-7,9-11H,2-3,5,8,12H2,1H3.
What are the key properties of 4-pentyl-1-(phenylselanylmethyl)triazole?
4-pentyl-1-(phenylselanylmethyl)triazole has a molecular weight of 308.29 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-1-(phenylselanylmethyl)triazole is sourced from PubChem (CID 102311784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).