1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one

C14H17N3O2 — CID 107431322

IUPAC1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one
SMILESCCC(=O)c1nnn(-c2cccc(OC)c2)c1CC
InChIInChI=1S/C14H17N3O2/c1-4-12-14(13(18)5-2)15-16-17(12)10-7-6-8-11(9-10)19-3/h6-9H,4-5H2,1-3H3
InChIKeyKQTXRYJSFKDLNC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.43
Rot. Bonds5

About 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one

1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one (PubChem CID 107431322) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one
PubChem CID107431322
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one
SMILESCCC(=O)c1nnn(-c2cccc(OC)c2)c1CC
InChIInChI=1S/C14H17N3O2/c1-4-12-14(13(18)5-2)15-16-17(12)10-7-6-8-11(9-10)19-3/h6-9H,4-5H2,1-3H3
InChIKeyKQTXRYJSFKDLNC-UHFFFAOYSA-N
XLogP2.43
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one 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

5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 15944215
5-benzyl-1-(3-methoxyphenyl)triazole-4-carboxylic acid
CID 94940493
methyl 5-ethyl-1-(3-fluorophenyl)triazole-4-carboxylate
CID 94068964
N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide
CID 91885850
1-[5-ethyl-1-(5-methyl-3-pyridinyl)triazol-4-yl]propan-1-one
CID 107586356
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 16654337
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431439
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
1-[4-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]ethanone
CID 39888524
5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid
CID 97036200
5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697
1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one
CID 107431385

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one?
The IUPAC name of 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one (CID 107431322) is 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one.
What is the SMILES notation for 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one?
The canonical SMILES for 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one is CCC(=O)c1nnn(-c2cccc(OC)c2)c1CC.
What is the InChIKey of 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one?
The InChIKey is KQTXRYJSFKDLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-12-14(13(18)5-2)15-16-17(12)10-7-6-8-11(9-10)19-3/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one?
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one has a molecular weight of 259.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one is sourced from PubChem (CID 107431322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).