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

C11H13N3O2 — CID 156626992

IUPAC4-(4-ethoxyphenyl)-5-methoxy-2H-triazole
SMILESCCOc1ccc(-c2n[nH]nc2OC)cc1
InChIInChI=1S/C11H13N3O2/c1-3-16-9-6-4-8(5-7-9)10-11(15-2)13-14-12-10/h4-7H,3H2,1-2H3,(H,12,13,14)
InChIKeyLLPAOIDPPQHHQD-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.88
Rot. Bonds4

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

4-(4-ethoxyphenyl)-5-methoxy-2H-triazole (PubChem CID 156626992) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-5-methoxy-2H-triazole.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-5-methoxy-2H-triazole
PubChem CID156626992
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-(4-ethoxyphenyl)-5-methoxy-2H-triazole
SMILESCCOc1ccc(-c2n[nH]nc2OC)cc1
InChIInChI=1S/C11H13N3O2/c1-3-16-9-6-4-8(5-7-9)10-11(15-2)13-14-12-10/h4-7H,3H2,1-2H3,(H,12,13,14)
InChIKeyLLPAOIDPPQHHQD-UHFFFAOYSA-N
XLogP1.88
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenyl)-5-methyl-2H-triazole
CID 170147551
4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole
CID 156627007
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole
CID 59430225
4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691852
4-(4-ethoxyphenyl)-2-methoxypyrimidine
CID 116903760
6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
CID 20549290
4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole
CID 59430286
4-(4-ethoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967744
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 5202512
5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine
CID 12733709
4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 90488473

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-5-methoxy-2H-triazole?
The IUPAC name of 4-(4-ethoxyphenyl)-5-methoxy-2H-triazole (CID 156626992) is 4-(4-ethoxyphenyl)-5-methoxy-2H-triazole.
What is the SMILES notation for 4-(4-ethoxyphenyl)-5-methoxy-2H-triazole?
The canonical SMILES for 4-(4-ethoxyphenyl)-5-methoxy-2H-triazole is CCOc1ccc(-c2n[nH]nc2OC)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-5-methoxy-2H-triazole?
The InChIKey is LLPAOIDPPQHHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-16-9-6-4-8(5-7-9)10-11(15-2)13-14-12-10/h4-7H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 4-(4-ethoxyphenyl)-5-methoxy-2H-triazole?
4-(4-ethoxyphenyl)-5-methoxy-2H-triazole has a molecular weight of 219.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-5-methoxy-2H-triazole is sourced from PubChem (CID 156626992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).