1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one

C15H18N4O2 — CID 116590562

IUPAC1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2cn(C3CNC3)nn2)cc1
InChIInChI=1S/C15H18N4O2/c1-21-13-5-2-11(3-6-13)4-7-15(20)14-10-19(18-17-14)12-8-16-9-12/h2-3,5-6,10,12,16H,4,7-9H2,1H3
InChIKeyKUFIVFXIDLWURG-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.25
Rot. Bonds6

About 1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one

1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one (PubChem CID 116590562) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
PubChem CID116590562
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2cn(C3CNC3)nn2)cc1
InChIInChI=1S/C15H18N4O2/c1-21-13-5-2-11(3-6-13)4-7-15(20)14-10-19(18-17-14)12-8-16-9-12/h2-3,5-6,10,12,16H,4,7-9H2,1H3
InChIKeyKUFIVFXIDLWURG-UHFFFAOYSA-N
XLogP1.25
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(azetidin-3-yl)triazol-4-yl]-2-(4-fluorophenyl)ethanone
CID 116590597
N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119739216
1-[1-(azetidin-3-yl)triazol-4-yl]hex-5-en-1-one
CID 116590695
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(3,4-difluorophenyl)ethanone
CID 116590732
N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680469
1-[1-(azetidin-3-yl)triazol-4-yl]-3-ethylpentan-1-one
CID 116590705
3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one
CID 103023689
1-[1-(azetidin-3-yl)triazol-4-yl]-2-thiophen-3-ylethanone
CID 116590713
1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide
CID 79318707
2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone
CID 73347920
2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-methylamino]butanoic acid
CID 79317005
3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one
CID 103373254

Frequently Asked Questions

What is the IUPAC name of 1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one (CID 116590562) is 1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)c2cn(C3CNC3)nn2)cc1.
What is the InChIKey of 1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is KUFIVFXIDLWURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-13-5-2-11(3-6-13)4-7-15(20)14-10-19(18-17-14)12-8-16-9-12/h2-3,5-6,10,12,16H,4,7-9H2,1H3.
What are the key properties of 1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one?
1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 286.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 116590562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).