(4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone

C18H16FN3O2 — CID 42730290

IUPAC(4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone
SMILESCCc1ccc(C(=O)n2nc(OC)nc2-c2cccc(F)c2)cc1
InChIInChI=1S/C18H16FN3O2/c1-3-12-7-9-13(10-8-12)17(23)22-16(20-18(21-22)24-2)14-5-4-6-15(19)11-14/h4-11H,3H2,1-2H3
InChIKeyQPHDRMOOACSCTD-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.34
Rot. Bonds4

About (4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone

(4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone (PubChem CID 42730290) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is (4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone
PubChem CID42730290
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name(4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone
SMILESCCc1ccc(C(=O)n2nc(OC)nc2-c2cccc(F)c2)cc1
InChIInChI=1S/C18H16FN3O2/c1-3-12-7-9-13(10-8-12)17(23)22-16(20-18(21-22)24-2)14-5-4-6-15(19)11-14/h4-11H,3H2,1-2H3
InChIKeyQPHDRMOOACSCTD-UHFFFAOYSA-N
XLogP3.34
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-ethylphenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 42731120
(4-ethylphenyl)-[5-(4-ethylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]methanone
CID 1062093
[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-pentylphenyl)methanone
CID 42726656
[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone
CID 1062023
(4-ethylphenyl)-[5-(2-fluorophenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]methanone
CID 42730353
1,3-benzodioxol-5-yl-[5-(3-fluorophenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]methanone
CID 42731173
N-[4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-4-ethylbenzamide
CID 3568210
[5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone
CID 42730200
[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone
CID 3640656
(2,4-dimethoxyphenyl)-[3-ethoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]methanone
CID 1062090
[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 1062031
[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(3,4-dichlorophenyl)methanone
CID 42730241

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone (CID 42730290) is (4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone is CCc1ccc(C(=O)n2nc(OC)nc2-c2cccc(F)c2)cc1.
What is the InChIKey of (4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone?
The InChIKey is QPHDRMOOACSCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-3-12-7-9-13(10-8-12)17(23)22-16(20-18(21-22)24-2)14-5-4-6-15(19)11-14/h4-11H,3H2,1-2H3.
What are the key properties of (4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone?
(4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone has a molecular weight of 325.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone is sourced from PubChem (CID 42730290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).