3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole

C12H15N3O — CID 61277730

IUPAC3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
SMILESCCOc1ccccc1-c1n[nH]c(CC)n1
InChIInChI=1S/C12H15N3O/c1-3-11-13-12(15-14-11)9-7-5-6-8-10(9)16-4-2/h5-8H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyFPVHVKRLEBFEGQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.43
Rot. Bonds4

About 3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole

3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole (PubChem CID 61277730) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
PubChem CID61277730
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
SMILESCCOc1ccccc1-c1n[nH]c(CC)n1
InChIInChI=1S/C12H15N3O/c1-3-11-13-12(15-14-11)9-7-5-6-8-10(9)16-4-2/h5-8H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyFPVHVKRLEBFEGQ-UHFFFAOYSA-N
XLogP2.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole?
The IUPAC name of 3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole (CID 61277730) is 3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole is CCOc1ccccc1-c1n[nH]c(CC)n1.
What is the InChIKey of 3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole?
The InChIKey is FPVHVKRLEBFEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-11-13-12(15-14-11)9-7-5-6-8-10(9)16-4-2/h5-8H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole?
3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole has a molecular weight of 217.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole is sourced from PubChem (CID 61277730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).