1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole

C18H19N3O — CID 134137674

IUPAC1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole
SMILESc1ccc2cc(OCc3cn(C4CCCC4)nn3)ccc2c1
InChIInChI=1S/C18H19N3O/c1-2-6-15-11-18(10-9-14(15)5-1)22-13-16-12-21(20-19-16)17-7-3-4-8-17/h1-2,5-6,9-12,17H,3-4,7-8,13H2
InChIKeyQFNADPCQOKBVNM-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.13
Rot. Bonds4

About 1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole

1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole (PubChem CID 134137674) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole.

Molecular Properties

Compound Name1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole
PubChem CID134137674
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole
SMILESc1ccc2cc(OCc3cn(C4CCCC4)nn3)ccc2c1
InChIInChI=1S/C18H19N3O/c1-2-6-15-11-18(10-9-14(15)5-1)22-13-16-12-21(20-19-16)17-7-3-4-8-17/h1-2,5-6,9-12,17H,3-4,7-8,13H2
InChIKeyQFNADPCQOKBVNM-UHFFFAOYSA-N
XLogP4.13
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole?
The IUPAC name of 1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole (CID 134137674) is 1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole.
What is the SMILES notation for 1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole?
The canonical SMILES for 1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole is c1ccc2cc(OCc3cn(C4CCCC4)nn3)ccc2c1.
What is the InChIKey of 1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole?
The InChIKey is QFNADPCQOKBVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-6-15-11-18(10-9-14(15)5-1)22-13-16-12-21(20-19-16)17-7-3-4-8-17/h1-2,5-6,9-12,17H,3-4,7-8,13H2.
What are the key properties of 1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole?
1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole has a molecular weight of 293.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(naphthalen-2-yloxymethyl)triazole is sourced from PubChem (CID 134137674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).