1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one

C16H21N3O — CID 107431385

IUPAC1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one
SMILESCCCc1ccccc1-n1nnc(C(=O)CC)c1CC
InChIInChI=1S/C16H21N3O/c1-4-9-12-10-7-8-11-14(12)19-13(5-2)16(17-18-19)15(20)6-3/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyMOQMJBHSXCZPEM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.37
Rot. Bonds6

About 1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one

1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one (PubChem CID 107431385) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one
PubChem CID107431385
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one
SMILESCCCc1ccccc1-n1nnc(C(=O)CC)c1CC
InChIInChI=1S/C16H21N3O/c1-4-9-12-10-7-8-11-14(12)19-13(5-2)16(17-18-19)15(20)6-3/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyMOQMJBHSXCZPEM-UHFFFAOYSA-N
XLogP3.37
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid
CID 105492249
1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone
CID 43671062
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one
CID 107431322
5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82200987
1-(2-ethoxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 53335498
1-(2-ethylphenyl)-5-(thiophen-2-ylmethyl)triazole-4-carboxylic acid
CID 94940478
2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one
CID 118564531
methyl 1-(2-fluorophenyl)-5-propyltriazole-4-carboxylate
CID 94068960
1-[5-ethyl-1-(5-methyl-3-pyridinyl)triazol-4-yl]propan-1-one
CID 107586356
1-(2,3-difluorophenyl)-5-ethyltriazole-4-carboxylic acid
CID 61074868
1-(2-ethylphenyl)-4,5-dimethyltriazole
CID 58328350
1-(2-ethylphenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid
CID 94940430

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one?
The IUPAC name of 1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one (CID 107431385) is 1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one.
What is the SMILES notation for 1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one?
The canonical SMILES for 1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one is CCCc1ccccc1-n1nnc(C(=O)CC)c1CC.
What is the InChIKey of 1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one?
The InChIKey is MOQMJBHSXCZPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-9-12-10-7-8-11-14(12)19-13(5-2)16(17-18-19)15(20)6-3/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one?
1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one has a molecular weight of 271.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one is sourced from PubChem (CID 107431385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).