2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one

C15H19N3O — CID 118564531

IUPAC2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one
SMILESCCCc1c(C(=O)C(C)C)nnn1-c1ccccc1
InChIInChI=1S/C15H19N3O/c1-4-8-13-14(15(19)11(2)3)16-17-18(13)12-9-6-5-7-10-12/h5-7,9-11H,4,8H2,1-3H3
InChIKeyDWCHSMLEDVDRFR-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.06
Rot. Bonds5

About 2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one

2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one (PubChem CID 118564531) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one
PubChem CID118564531
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one
SMILESCCCc1c(C(=O)C(C)C)nnn1-c1ccccc1
InChIInChI=1S/C15H19N3O/c1-4-8-13-14(15(19)11(2)3)16-17-18(13)12-9-6-5-7-10-12/h5-7,9-11H,4,8H2,1-3H3
InChIKeyDWCHSMLEDVDRFR-UHFFFAOYSA-N
XLogP3.06
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one 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 2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one (CID 118564531) is 2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one is CCCc1c(C(=O)C(C)C)nnn1-c1ccccc1.
What is the InChIKey of 2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one?
The InChIKey is DWCHSMLEDVDRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-8-13-14(15(19)11(2)3)16-17-18(13)12-9-6-5-7-10-12/h5-7,9-11H,4,8H2,1-3H3.
What are the key properties of 2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one?
2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one has a molecular weight of 257.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one is sourced from PubChem (CID 118564531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).