1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole

C15H19N3O2 — CID 118473658

IUPAC1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole
SMILESCCOC1(c2ccccc2)OCCCC1n1cncn1
InChIInChI=1S/C15H19N3O2/c1-2-19-15(13-7-4-3-5-8-13)14(9-6-10-20-15)18-12-16-11-17-18/h3-5,7-8,11-12,14H,2,6,9-10H2,1H3
InChIKeyYLGQVEZEJQUERH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.52
Rot. Bonds4

About 1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole

1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole (PubChem CID 118473658) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole
PubChem CID118473658
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole
SMILESCCOC1(c2ccccc2)OCCCC1n1cncn1
InChIInChI=1S/C15H19N3O2/c1-2-19-15(13-7-4-3-5-8-13)14(9-6-10-20-15)18-12-16-11-17-18/h3-5,7-8,11-12,14H,2,6,9-10H2,1H3
InChIKeyYLGQVEZEJQUERH-UHFFFAOYSA-N
XLogP2.52
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-phenyl-2-prop-2-enoxyoxepan-3-yl)-1,2,4-triazole
CID 118473731
1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole
CID 118473703
1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole
CID 118473657
1-(2-chloro-2-phenyloxolan-3-yl)-1,2,4-triazole
CID 118473666
1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole
CID 118473690
2-ethoxy-2-phenyl-1,3-dioxane
CID 86143567
1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole
CID 118473671
1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol
CID 118473735
triethoxy-(2-phenyloxan-2-yl)silane
CID 175435883
1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine
CID 91941498
(2S,3R)-3-fluoro-2-[(2R,3S)-3-fluoro-2-phenyloxolan-2-yl]peroxy-2-phenyloxolane
CID 102315051
1-phenyl-2-oxabicyclo[4.1.0]heptane
CID 154332997

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole?
The IUPAC name of 1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole (CID 118473658) is 1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole?
The canonical SMILES for 1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole is CCOC1(c2ccccc2)OCCCC1n1cncn1.
What is the InChIKey of 1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole?
The InChIKey is YLGQVEZEJQUERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-19-15(13-7-4-3-5-8-13)14(9-6-10-20-15)18-12-16-11-17-18/h3-5,7-8,11-12,14H,2,6,9-10H2,1H3.
What are the key properties of 1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole?
1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole has a molecular weight of 273.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole is sourced from PubChem (CID 118473658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).