1-(1-ethyl-5-phenyltriazol-4-yl)ethanone

C12H13N3O — CID 82207520

IUPAC1-(1-ethyl-5-phenyltriazol-4-yl)ethanone
SMILESCCn1nnc(C(C)=O)c1-c1ccccc1
InChIInChI=1S/C12H13N3O/c1-3-15-12(10-7-5-4-6-8-10)11(9(2)16)13-14-15/h4-8H,3H2,1-2H3
InChIKeyJHGFOARXGCYRAF-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.17
Rot. Bonds3

About 1-(1-ethyl-5-phenyltriazol-4-yl)ethanone

1-(1-ethyl-5-phenyltriazol-4-yl)ethanone (PubChem CID 82207520) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-(1-ethyl-5-phenyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethyl-5-phenyltriazol-4-yl)ethanone
PubChem CID82207520
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-(1-ethyl-5-phenyltriazol-4-yl)ethanone
SMILESCCn1nnc(C(C)=O)c1-c1ccccc1
InChIInChI=1S/C12H13N3O/c1-3-15-12(10-7-5-4-6-8-10)11(9(2)16)13-14-15/h4-8H,3H2,1-2H3
InChIKeyJHGFOARXGCYRAF-UHFFFAOYSA-N
XLogP2.17
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethyl-5-phenyltriazol-4-yl)ethanone 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

2-(4-acetyl-5-phenyltriazol-1-yl)acetic acid
CID 82202879
1-[1-(2-methylpropyl)-5-phenyltriazol-4-yl]ethanone
CID 82208841
1-(5-phenyl-1-prop-2-enyltriazol-4-yl)ethanone
CID 82204785
2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone
CID 94942791
butyl 2-(4-acetyl-5-phenyltriazol-1-yl)acetate
CID 82202839
1-ethyl-5-(4-fluorophenyl)triazole-4-carboxylic acid
CID 82207145
1-butyl-5-phenyltriazole-4-carboxylic acid
CID 82205223
1-ethyl-5-(1H-pyrrol-3-yl)triazole-4-carboxylic acid
CID 136995797
ethyl 2-(4-acetyl-5-phenyltriazol-1-yl)butanoate
CID 82202874
ethyl 1-(2-hydroxy-2-methylpropyl)-5-phenyltriazole-4-carboxylate
CID 103104600
1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone
CID 94939684
ethyl 1-(3-fluoropropyl)-5-phenyltriazole-4-carboxylate
CID 103104588

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-phenyltriazol-4-yl)ethanone?
The IUPAC name of 1-(1-ethyl-5-phenyltriazol-4-yl)ethanone (CID 82207520) is 1-(1-ethyl-5-phenyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-ethyl-5-phenyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(1-ethyl-5-phenyltriazol-4-yl)ethanone is CCn1nnc(C(C)=O)c1-c1ccccc1.
What is the InChIKey of 1-(1-ethyl-5-phenyltriazol-4-yl)ethanone?
The InChIKey is JHGFOARXGCYRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-3-15-12(10-7-5-4-6-8-10)11(9(2)16)13-14-15/h4-8H,3H2,1-2H3.
What are the key properties of 1-(1-ethyl-5-phenyltriazol-4-yl)ethanone?
1-(1-ethyl-5-phenyltriazol-4-yl)ethanone has a molecular weight of 215.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-phenyltriazol-4-yl)ethanone is sourced from PubChem (CID 82207520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).