[1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone

C14H15FN4O — CID 106883087

IUPAC[1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cn(C3CNC3)nn2)c(F)c1
InChIInChI=1S/C14H15FN4O/c1-8-3-9(2)13(11(15)4-8)14(20)12-7-19(18-17-12)10-5-16-6-10/h3-4,7,10,16H,5-6H2,1-2H3
InChIKeyPADASCBDMIEFPW-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.41
Rot. Bonds3

About [1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone

[1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone (PubChem CID 106883087) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is [1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name[1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone
PubChem CID106883087
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name[1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cn(C3CNC3)nn2)c(F)c1
InChIInChI=1S/C14H15FN4O/c1-8-3-9(2)13(11(15)4-8)14(20)12-7-19(18-17-12)10-5-16-6-10/h3-4,7,10,16H,5-6H2,1-2H3
InChIKeyPADASCBDMIEFPW-UHFFFAOYSA-N
XLogP1.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone
CID 116590706
[1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 116590655
[1-(azetidin-3-yl)triazol-4-yl]-(5-methylthiophen-2-yl)methanone
CID 116590601
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(2,4-difluorophenyl)ethanone
CID 116590710
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(3,4-difluorophenyl)ethanone
CID 116590732
1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 79316298
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(4-fluorophenyl)ethanone
CID 116590597
1-(azetidin-3-yl)-N-(2-bromo-5-methylphenyl)triazole-4-carboxamide
CID 82756878
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
CID 114230177
[1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone
CID 116590778
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116590634

Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone?
The IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone (CID 106883087) is [1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone.
What is the SMILES notation for [1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone?
The canonical SMILES for [1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2cn(C3CNC3)nn2)c(F)c1.
What is the InChIKey of [1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone?
The InChIKey is PADASCBDMIEFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-8-3-9(2)13(11(15)4-8)14(20)12-7-19(18-17-12)10-5-16-6-10/h3-4,7,10,16H,5-6H2,1-2H3.
What are the key properties of [1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone?
[1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone has a molecular weight of 274.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106883087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).