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

C12H15N3O — CID 90935639

IUPAC1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole
SMILESCCOc1ccc(-n2cnc(CC)n2)cc1
InChIInChI=1S/C12H15N3O/c1-3-12-13-9-15(14-12)10-5-7-11(8-6-10)16-4-2/h5-9H,3-4H2,1-2H3
InChIKeyXZHAAILJOZIQHU-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.23
Rot. Bonds4

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

1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole (PubChem CID 90935639) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole
PubChem CID90935639
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole
SMILESCCOc1ccc(-n2cnc(CC)n2)cc1
InChIInChI=1S/C12H15N3O/c1-3-12-13-9-15(14-12)10-5-7-11(8-6-10)16-4-2/h5-9H,3-4H2,1-2H3
InChIKeyXZHAAILJOZIQHU-UHFFFAOYSA-N
XLogP2.23
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole
CID 91159572
3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole
CID 91025299
1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole
CID 71253286
[1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 83819506
1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82301662
3-amino-1-(4-ethoxyphenyl)pyrazole-4-carbonitrile
CID 114020791
1-(4-ethoxyphenyl)pyrazole-4-carbonitrile
CID 82284363
[3-(4-ethoxyphenyl)imidazol-4-yl]methanamine
CID 114702711
(1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol
CID 97157400
ethane;1-(4-ethylphenyl)-3-methyl-1,2,4-triazole
CID 142333133
1-(4-ethoxyphenyl)-4-(4-methylphenyl)pyrazole
CID 107958448
4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine
CID 114020779

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole?
The IUPAC name of 1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole (CID 90935639) is 1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole is CCOc1ccc(-n2cnc(CC)n2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole?
The InChIKey is XZHAAILJOZIQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-12-13-9-15(14-12)10-5-7-11(8-6-10)16-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole?
1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole has a molecular weight of 217.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole is sourced from PubChem (CID 90935639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).