cyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone

C18H23N3O3 — CID 42729434

IUPACcyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone
SMILESCOc1ccc(-c2nc(OCC(C)C)nn2C(=O)C2CCC2)cc1
InChIInChI=1S/C18H23N3O3/c1-12(2)11-24-18-19-16(13-7-9-15(23-3)10-8-13)21(20-18)17(22)14-5-4-6-14/h7-10,12,14H,4-6,11H2,1-3H3
InChIKeyIMOKIPBAAANXCW-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.43
Rot. Bonds6

About cyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone

cyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone (PubChem CID 42729434) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is cyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone
PubChem CID42729434
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namecyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone
SMILESCOc1ccc(-c2nc(OCC(C)C)nn2C(=O)C2CCC2)cc1
InChIInChI=1S/C18H23N3O3/c1-12(2)11-24-18-19-16(13-7-9-15(23-3)10-8-13)21(20-18)17(22)14-5-4-6-14/h7-10,12,14H,4-6,11H2,1-3H3
InChIKeyIMOKIPBAAANXCW-UHFFFAOYSA-N
XLogP3.43
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone 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-butoxy-5-(4-chlorophenyl)-1,2,4-triazol-1-yl]-cyclopropylmethanone
CID 42730436
1,3-benzodioxol-5-yl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone
CID 42729433
[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 42730372
(4-methoxyphenyl)-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone
CID 1061987
1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]dodecan-1-one
CID 3643520
[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone
CID 42727524
N-[4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]cyclobutanecarboxamide
CID 1029322
N-[4-[3-(2-methylpropoxy)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]cyclopropanecarboxamide
CID 1026750
1-(4-methoxyphenyl)-3-(2-methylpropoxy)-5-(4-phenylmethoxyphenyl)-1,2,4-triazole
CID 91538162
[3-ethoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(furan-2-yl)methanone
CID 42726666
(2-bromophenyl)-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone
CID 4567184
[5-(4-ethylphenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 42731120

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone?
The IUPAC name of cyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone (CID 42729434) is cyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone?
The canonical SMILES for cyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone is COc1ccc(-c2nc(OCC(C)C)nn2C(=O)C2CCC2)cc1.
What is the InChIKey of cyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone?
The InChIKey is IMOKIPBAAANXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)11-24-18-19-16(13-7-9-15(23-3)10-8-13)21(20-18)17(22)14-5-4-6-14/h7-10,12,14H,4-6,11H2,1-3H3.
What are the key properties of cyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone?
cyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone is sourced from PubChem (CID 42729434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).