3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole

C18H17N3O2 — CID 166393819

IUPAC3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnnc2COc2cccc(OC3CC3)c2)cc1
InChIInChI=1S/C18H17N3O2/c1-2-5-14(6-3-1)21-13-19-20-18(21)12-22-16-7-4-8-17(11-16)23-15-9-10-15/h1-8,11,13,15H,9-10,12H2
InChIKeyOIICBYIXEQUAFD-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.39
Rot. Bonds6

About 3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole

3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole (PubChem CID 166393819) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole
PubChem CID166393819
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnnc2COc2cccc(OC3CC3)c2)cc1
InChIInChI=1S/C18H17N3O2/c1-2-5-14(6-3-1)21-13-19-20-18(21)12-22-16-7-4-8-17(11-16)23-15-9-10-15/h1-8,11,13,15H,9-10,12H2
InChIKeyOIICBYIXEQUAFD-UHFFFAOYSA-N
XLogP3.39
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
CID 71521029
4-phenyl-3-(propoxymethyl)-1,2,4-triazole
CID 107944041
N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589560
3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole
CID 115393404
2-[3-(3-ethyl-1,2,4-triazol-4-yl)phenoxy]ethanamine
CID 96687117
(4-phenyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 71779094
3-[(1-phenyltetrazol-5-yl)methoxy]aniline
CID 61035872
[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82396636
3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole
CID 136569269
2-[3-(3-methyl-1,2,4-triazol-4-yl)phenoxy]acetic acid
CID 82513162
3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393272
3-[4-methyl-5-[(3-phenoxyphenoxy)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91787662

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole (CID 166393819) is 3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole is c1ccc(-n2cnnc2COc2cccc(OC3CC3)c2)cc1.
What is the InChIKey of 3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole?
The InChIKey is OIICBYIXEQUAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-5-14(6-3-1)21-13-19-20-18(21)12-22-16-7-4-8-17(11-16)23-15-9-10-15/h1-8,11,13,15H,9-10,12H2.
What are the key properties of 3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole?
3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole has a molecular weight of 307.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 166393819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).