3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole

C14H19N3O — CID 121495560

IUPAC3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole
SMILESCCc1nc(-c2cccc(OC(C)C)c2)n(C)n1
InChIInChI=1S/C14H19N3O/c1-5-13-15-14(17(4)16-13)11-7-6-8-12(9-11)18-10(2)3/h6-10H,5H2,1-4H3
InChIKeyPYFJBZBMHSLYKH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.83
Rot. Bonds4

About 3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole

3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole (PubChem CID 121495560) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole
PubChem CID121495560
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole
SMILESCCc1nc(-c2cccc(OC(C)C)c2)n(C)n1
InChIInChI=1S/C14H19N3O/c1-5-13-15-14(17(4)16-13)11-7-6-8-12(9-11)18-10(2)3/h6-10H,5H2,1-4H3
InChIKeyPYFJBZBMHSLYKH-UHFFFAOYSA-N
XLogP2.83
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472128
3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole
CID 113301344
ethyl 5-(3-methoxyphenyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 55182741
2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 136769566
3-bromo-5-(3-methoxyphenyl)-1-methyl-1,2,4-triazole
CID 84712036
4-(aminomethyl)-6-(3-propan-2-yloxyphenyl)-2-propylpyridazin-3-one
CID 82446845
3-butyl-5-(3-propan-2-yloxyphenyl)imidazol-4-amine
CID 62017559
2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82444253
1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+)
CID 160958444
5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 63399466
2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine
CID 164607154
2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine
CID 56719109

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole?
The IUPAC name of 3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole (CID 121495560) is 3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole?
The canonical SMILES for 3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole is CCc1nc(-c2cccc(OC(C)C)c2)n(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole?
The InChIKey is PYFJBZBMHSLYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-5-13-15-14(17(4)16-13)11-7-6-8-12(9-11)18-10(2)3/h6-10H,5H2,1-4H3.
What are the key properties of 3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole?
3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole has a molecular weight of 245.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 121495560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).