1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one

C17H20N4O — CID 121189876

IUPAC1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H20N4O/c22-17(9-6-13-4-2-1-3-5-13)20-10-15(11-20)21-12-16(18-19-21)14-7-8-14/h1-5,12,14-15H,6-11H2
InChIKeyFCVWMAYQHSZABQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.17
Rot. Bonds5

About 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one

1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one (PubChem CID 121189876) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one
PubChem CID121189876
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H20N4O/c22-17(9-6-13-4-2-1-3-5-13)20-10-15(11-20)21-12-16(18-19-21)14-7-8-14/h1-5,12,14-15H,6-11H2
InChIKeyFCVWMAYQHSZABQ-UHFFFAOYSA-N
XLogP2.17
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-oxopropyl]benzonitrile
CID 121190003
3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121190256
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 121190540
3-(2-bromophenyl)-1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 124760129
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 121189855
2-(benzimidazol-1-yl)-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
CID 121190056
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 121190130
3-phenyl-1-[3-(1,2,4-triazol-1-yl)azetidin-1-yl]propan-1-one
CID 51108705
(2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121190090
2-(1,3-benzodioxol-5-yl)-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
CID 121190121
1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121189888
3-phenyl-1-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one
CID 91892268

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one (CID 121189876) is 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is FCVWMAYQHSZABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(9-6-13-4-2-1-3-5-13)20-10-15(11-20)21-12-16(18-19-21)14-7-8-14/h1-5,12,14-15H,6-11H2.
What are the key properties of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one?
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 296.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 121189876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).