2-(1-methyltriazol-4-yl)-1-phenylethanone

C11H11N3O — CID 107046867

IUPAC2-(1-methyltriazol-4-yl)-1-phenylethanone
SMILESCn1cc(CC(=O)c2ccccc2)nn1
InChIInChI=1S/C11H11N3O/c1-14-8-10(12-13-14)7-11(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyYWIXUPIRCFFDQB-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.24
Rot. Bonds3

About 2-(1-methyltriazol-4-yl)-1-phenylethanone

2-(1-methyltriazol-4-yl)-1-phenylethanone (PubChem CID 107046867) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)-1-phenylethanone
PubChem CID107046867
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(1-methyltriazol-4-yl)-1-phenylethanone
SMILESCn1cc(CC(=O)c2ccccc2)nn1
InChIInChI=1S/C11H11N3O/c1-14-8-10(12-13-14)7-11(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyYWIXUPIRCFFDQB-UHFFFAOYSA-N
XLogP1.24
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-methyltriazol-4-yl)-1-phenylethanone 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

1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone
CID 107062635
1-(4-chloro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062652
1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063142
2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone
CID 107047017
1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063008
1-(3-bromo-5-chlorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107944900
1-(3-amino-5-chlorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062342
4-amino-1-(1-methyltriazol-4-yl)-3-phenylbutan-2-one
CID 107061986
1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063130
2-(1-methyltriazol-4-yl)-1-(thiadiazol-4-yl)ethanone
CID 107062878
3-methyl-1-(1-methyltriazol-4-yl)but-3-en-2-one
CID 107047590
1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107047379

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)-1-phenylethanone?
The IUPAC name of 2-(1-methyltriazol-4-yl)-1-phenylethanone (CID 107046867) is 2-(1-methyltriazol-4-yl)-1-phenylethanone.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)-1-phenylethanone?
The canonical SMILES for 2-(1-methyltriazol-4-yl)-1-phenylethanone is Cn1cc(CC(=O)c2ccccc2)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)-1-phenylethanone?
The InChIKey is YWIXUPIRCFFDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-14-8-10(12-13-14)7-11(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)-1-phenylethanone?
2-(1-methyltriazol-4-yl)-1-phenylethanone has a molecular weight of 201.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)-1-phenylethanone is sourced from PubChem (CID 107046867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).