1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole

C14H19N3O — CID 112719041

IUPAC1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole
SMILESCCn1cc(CCc2ccc(OC)cc2C)nn1
InChIInChI=1S/C14H19N3O/c1-4-17-10-13(15-16-17)7-5-12-6-8-14(18-3)9-11(12)2/h6,8-10H,4-5,7H2,1-3H3
InChIKeyJOAXLHZZNQHIMD-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.40
Rot. Bonds5

About 1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole

1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole (PubChem CID 112719041) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole.

Molecular Properties

Compound Name1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole
PubChem CID112719041
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole
SMILESCCn1cc(CCc2ccc(OC)cc2C)nn1
InChIInChI=1S/C14H19N3O/c1-4-17-10-13(15-16-17)7-5-12-6-8-14(18-3)9-11(12)2/h6,8-10H,4-5,7H2,1-3H3
InChIKeyJOAXLHZZNQHIMD-UHFFFAOYSA-N
XLogP2.40
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[4-(4-methoxy-2-methylphenyl)butyl]triazole
CID 69346797
4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole
CID 112719662
2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol
CID 112717284
4-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]-1-ethyltriazole
CID 112719250
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
1-ethyl-4-[2-(5-ethylthiophen-2-yl)ethyl]triazole
CID 112718225
2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol
CID 112717418
5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid
CID 69045278
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole
CID 112717101
1-(3-chloropentyl)-4-methoxy-2-methylbenzene
CID 65316392
2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol
CID 62400404

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole?
The IUPAC name of 1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole (CID 112719041) is 1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole.
What is the SMILES notation for 1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole?
The canonical SMILES for 1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole is CCn1cc(CCc2ccc(OC)cc2C)nn1.
What is the InChIKey of 1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole?
The InChIKey is JOAXLHZZNQHIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-17-10-13(15-16-17)7-5-12-6-8-14(18-3)9-11(12)2/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of 1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole?
1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole has a molecular weight of 245.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole is sourced from PubChem (CID 112719041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).