1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one

C15H19N3O2 — CID 116751556

IUPAC1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
SMILESCOC(C(=O)Cc1ncnn1C(C)C)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-11(2)18-14(16-10-17-18)9-13(19)15(20-3)12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3
InChIKeyPZNLJVCSEZPURW-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.36
Rot. Bonds6

About 1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one

1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one (PubChem CID 116751556) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
PubChem CID116751556
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
SMILESCOC(C(=O)Cc1ncnn1C(C)C)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-11(2)18-14(16-10-17-18)9-13(19)15(20-3)12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3
InChIKeyPZNLJVCSEZPURW-UHFFFAOYSA-N
XLogP2.36
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 114029038
1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 79493427
3-amino-4-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 116594219
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563
2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 104846308
[1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105279144
5-(3-chloro-2-phenylpropyl)-1-propan-2-yl-1,2,4-triazole
CID 66035466
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone
CID 107356752
3-(1-butan-2-ylpyrazol-3-yl)-1-methoxy-1-phenylpropan-2-one
CID 116751554
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-phenylethanone
CID 114642875
3-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pent-3-en-2-one
CID 103447395

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one?
The IUPAC name of 1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one (CID 116751556) is 1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one.
What is the SMILES notation for 1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one?
The canonical SMILES for 1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one is COC(C(=O)Cc1ncnn1C(C)C)c1ccccc1.
What is the InChIKey of 1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one?
The InChIKey is PZNLJVCSEZPURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)18-14(16-10-17-18)9-13(19)15(20-3)12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3.
What are the key properties of 1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one?
1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one has a molecular weight of 273.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one is sourced from PubChem (CID 116751556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).