5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole

C15H19FN4 — CID 79459810

IUPAC5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole
SMILESCCCn1ncnc1CC1(c2cccc(F)c2)CNC1
InChIInChI=1S/C15H19FN4/c1-2-6-20-14(18-11-19-20)8-15(9-17-10-15)12-4-3-5-13(16)7-12/h3-5,7,11,17H,2,6,8-10H2,1H3
InChIKeyVJBFBCJOJVUVJZ-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.91
Rot. Bonds5

About 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole

5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole (PubChem CID 79459810) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole
PubChem CID79459810
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole
SMILESCCCn1ncnc1CC1(c2cccc(F)c2)CNC1
InChIInChI=1S/C15H19FN4/c1-2-6-20-14(18-11-19-20)8-15(9-17-10-15)12-4-3-5-13(16)7-12/h3-5,7,11,17H,2,6,8-10H2,1H3
InChIKeyVJBFBCJOJVUVJZ-UHFFFAOYSA-N
XLogP1.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 79460484
5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole
CID 107058629
4-bromo-1-ethyl-5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-3-methylpyrazole
CID 79460887
3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine
CID 106459870
3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine
CID 79461082
4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019200
3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine
CID 79460489
3-(3-fluorophenyl)-3-(methoxymethyl)azetidine
CID 103985393
5-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethyl-1,2,4-triazole
CID 79461096
[1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105204839
2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
CID 66057605
1-ethyl-5-[(3-methylazetidin-3-yl)methyl]-1,2,4-triazole
CID 79451521

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole?
The IUPAC name of 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole (CID 79459810) is 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole.
What is the SMILES notation for 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole?
The canonical SMILES for 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole is CCCn1ncnc1CC1(c2cccc(F)c2)CNC1.
What is the InChIKey of 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole?
The InChIKey is VJBFBCJOJVUVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-2-6-20-14(18-11-19-20)8-15(9-17-10-15)12-4-3-5-13(16)7-12/h3-5,7,11,17H,2,6,8-10H2,1H3.
What are the key properties of 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole?
5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole has a molecular weight of 274.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole is sourced from PubChem (CID 79459810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).