3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole

C15H19N3O — CID 75499094

IUPAC3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole
SMILESCCn1c(C)nnc1COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19N3O/c1-3-18-11(2)16-17-15(18)10-19-14-8-7-12-5-4-6-13(12)9-14/h7-9H,3-6,10H2,1-2H3
InChIKeyFDBFGRNJNYRARY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.67
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole

3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole (PubChem CID 75499094) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole
PubChem CID75499094
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole
SMILESCCn1c(C)nnc1COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19N3O/c1-3-18-11(2)16-17-15(18)10-19-14-8-7-12-5-4-6-13(12)9-14/h7-9H,3-6,10H2,1-2H3
InChIKeyFDBFGRNJNYRARY-UHFFFAOYSA-N
XLogP2.67
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole (CID 75499094) is 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole is CCn1c(C)nnc1COc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole?
The InChIKey is FDBFGRNJNYRARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-18-11(2)16-17-15(18)10-19-14-8-7-12-5-4-6-13(12)9-14/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole?
3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole has a molecular weight of 257.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-4-ethyl-5-methyl-1,2,4-triazole is sourced from PubChem (CID 75499094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).