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

C20H15N3O — CID 94939684

IUPAC1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone
SMILESCC(=O)c1nnn(-c2cccc3ccccc23)c1-c1ccccc1
InChIInChI=1S/C20H15N3O/c1-14(24)19-20(16-9-3-2-4-10-16)23(22-21-19)18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,1H3
InChIKeyMFUYHCWWMNCODM-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.29
Rot. Bonds3

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

1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone (PubChem CID 94939684) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone
PubChem CID94939684
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone
SMILESCC(=O)c1nnn(-c2cccc3ccccc23)c1-c1ccccc1
InChIInChI=1S/C20H15N3O/c1-14(24)19-20(16-9-3-2-4-10-16)23(22-21-19)18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,1H3
InChIKeyMFUYHCWWMNCODM-UHFFFAOYSA-N
XLogP4.29
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-naphthalen-1-yl-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

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone?
The IUPAC name of 1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone (CID 94939684) is 1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone is CC(=O)c1nnn(-c2cccc3ccccc23)c1-c1ccccc1.
What is the InChIKey of 1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone?
The InChIKey is MFUYHCWWMNCODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-14(24)19-20(16-9-3-2-4-10-16)23(22-21-19)18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,1H3.
What are the key properties of 1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone?
1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone has a molecular weight of 313.36 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone is sourced from PubChem (CID 94939684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).