5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole

C12H14FN5 — CID 107058629

IUPAC5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole
SMILESCn1nnc(CC2(c3cccc(F)c3)CNC2)n1
InChIInChI=1S/C12H14FN5/c1-18-16-11(15-17-18)6-12(7-14-8-12)9-3-2-4-10(13)5-9/h2-5,14H,6-8H2,1H3
InChIKeyUOLQAROTKUUUMN-UHFFFAOYSA-N
MW247.28 g/mol
LogP0.43
Rot. Bonds3

About 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole

5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole (PubChem CID 107058629) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole
PubChem CID107058629
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC Name5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole
SMILESCn1nnc(CC2(c3cccc(F)c3)CNC2)n1
InChIInChI=1S/C12H14FN5/c1-18-16-11(15-17-18)6-12(7-14-8-12)9-3-2-4-10(13)5-9/h2-5,14H,6-8H2,1H3
InChIKeyUOLQAROTKUUUMN-UHFFFAOYSA-N
XLogP0.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019200
5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole
CID 79459810
3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine
CID 79460489
4-bromo-1-ethyl-5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-3-methylpyrazole
CID 79460887
5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 79460484
3-(3-fluorophenyl)-3-(methoxymethyl)azetidine
CID 103985393
1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107046487
3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine
CID 106459870
3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine
CID 79461082
5-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-2-methyltetrazole
CID 107058012
3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79460878
3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine
CID 79460198

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole?
The IUPAC name of 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole (CID 107058629) is 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole.
What is the SMILES notation for 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole?
The canonical SMILES for 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole is Cn1nnc(CC2(c3cccc(F)c3)CNC2)n1.
What is the InChIKey of 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole?
The InChIKey is UOLQAROTKUUUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c1-18-16-11(15-17-18)6-12(7-14-8-12)9-3-2-4-10(13)5-9/h2-5,14H,6-8H2,1H3.
What are the key properties of 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole?
5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole has a molecular weight of 247.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole is sourced from PubChem (CID 107058629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).