4-(4-ethoxyphenyl)-5-methyl-2H-triazole

C11H13N3O — CID 170147551

IUPAC4-(4-ethoxyphenyl)-5-methyl-2H-triazole
SMILESCCOc1ccc(-c2n[nH]nc2C)cc1
InChIInChI=1S/C11H13N3O/c1-3-15-10-6-4-9(5-7-10)11-8(2)12-14-13-11/h4-7H,3H2,1-2H3,(H,12,13,14)
InChIKeyFXQJOWMIWMDXRY-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.18
Rot. Bonds3

About 4-(4-ethoxyphenyl)-5-methyl-2H-triazole

4-(4-ethoxyphenyl)-5-methyl-2H-triazole (PubChem CID 170147551) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-5-methyl-2H-triazole.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-5-methyl-2H-triazole
PubChem CID170147551
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name4-(4-ethoxyphenyl)-5-methyl-2H-triazole
SMILESCCOc1ccc(-c2n[nH]nc2C)cc1
InChIInChI=1S/C11H13N3O/c1-3-15-10-6-4-9(5-7-10)11-8(2)12-14-13-11/h4-7H,3H2,1-2H3,(H,12,13,14)
InChIKeyFXQJOWMIWMDXRY-UHFFFAOYSA-N
XLogP2.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxyphenyl)-5-methoxy-2H-triazole
CID 156626992
4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole
CID 59430225
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
4,5-bis(4-ethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 154311787
5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826
6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid
CID 82120696
N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691761
5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine
CID 12733709
ethyl 5-[4-(3-chloropropoxy)phenyl]-2H-triazole-4-carboxylate
CID 169401523
ethyl 5-[4-(2-methylpropoxy)phenyl]-2H-triazole-4-carboxylate
CID 169399278
2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
CID 82135118
4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691863

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-5-methyl-2H-triazole?
The IUPAC name of 4-(4-ethoxyphenyl)-5-methyl-2H-triazole (CID 170147551) is 4-(4-ethoxyphenyl)-5-methyl-2H-triazole.
What is the SMILES notation for 4-(4-ethoxyphenyl)-5-methyl-2H-triazole?
The canonical SMILES for 4-(4-ethoxyphenyl)-5-methyl-2H-triazole is CCOc1ccc(-c2n[nH]nc2C)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-5-methyl-2H-triazole?
The InChIKey is FXQJOWMIWMDXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-15-10-6-4-9(5-7-10)11-8(2)12-14-13-11/h4-7H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 4-(4-ethoxyphenyl)-5-methyl-2H-triazole?
4-(4-ethoxyphenyl)-5-methyl-2H-triazole has a molecular weight of 203.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-5-methyl-2H-triazole is sourced from PubChem (CID 170147551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).