1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one

C17H15N3O — CID 21332124

IUPAC1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one
SMILESCC(=O)C(c1ccccc1)(c1ccccc1)n1cnnc1
InChIInChI=1S/C17H15N3O/c1-14(21)17(20-12-18-19-13-20,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13H,1H3
InChIKeyIQXZABPATZUJOG-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.66
Rot. Bonds4

About 1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one

1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one (PubChem CID 21332124) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one
PubChem CID21332124
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one
SMILESCC(=O)C(c1ccccc1)(c1ccccc1)n1cnnc1
InChIInChI=1S/C17H15N3O/c1-14(21)17(20-12-18-19-13-20,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13H,1H3
InChIKeyIQXZABPATZUJOG-UHFFFAOYSA-N
XLogP2.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one?
The IUPAC name of 1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one (CID 21332124) is 1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one.
What is the SMILES notation for 1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one?
The canonical SMILES for 1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one is CC(=O)C(c1ccccc1)(c1ccccc1)n1cnnc1.
What is the InChIKey of 1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one?
The InChIKey is IQXZABPATZUJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-14(21)17(20-12-18-19-13-20,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13H,1H3.
What are the key properties of 1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one?
1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one has a molecular weight of 277.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-1-(1,2,4-triazol-4-yl)propan-2-one is sourced from PubChem (CID 21332124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).