5-(2-fluoro-6-methylphenyl)-2-methyltetrazole

C9H9FN4 — CID 123970933

IUPAC5-(2-fluoro-6-methylphenyl)-2-methyltetrazole
SMILESCc1cccc(F)c1-c1nnn(C)n1
InChIInChI=1S/C9H9FN4/c1-6-4-3-5-7(10)8(6)9-11-13-14(2)12-9/h3-5H,1-2H3
InChIKeyHBSAGZZTWZXIFN-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.32
Rot. Bonds1

About 5-(2-fluoro-6-methylphenyl)-2-methyltetrazole

5-(2-fluoro-6-methylphenyl)-2-methyltetrazole (PubChem CID 123970933) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is 5-(2-fluoro-6-methylphenyl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(2-fluoro-6-methylphenyl)-2-methyltetrazole
PubChem CID123970933
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name5-(2-fluoro-6-methylphenyl)-2-methyltetrazole
SMILESCc1cccc(F)c1-c1nnn(C)n1
InChIInChI=1S/C9H9FN4/c1-6-4-3-5-7(10)8(6)9-11-13-14(2)12-9/h3-5H,1-2H3
InChIKeyHBSAGZZTWZXIFN-UHFFFAOYSA-N
XLogP1.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorophenyl)-2H-1,2,3,4-tetrazole
CID 333943
5-(2-methylphenyl)-2H-1,2,3,4-tetrazole
CID 583067
5-(2-fluorophenyl)-1H-1,2,3,4-tetrazole
CID 596275
5-(4-Fluorophenyl)-1H-tetrazole
CID 766140
2-(2-chloro-4-fluorobenzyl)-5-(2-methylphenyl)-2H-tetrazole
CID 723279
2-Benzyl-5-phenyl-2h-tetrazole
CID 285167
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
5-(4-fluorophenyl)-2-(2-methylbenzyl)-2H-tetrazole
CID 738168
3-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-propionitrile
CID 591006
5-(4-Fluorophenyl)-2-(3-iodoprop-2-ynyl)tetrazole
CID 497164
5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole
CID 497172
2-Methyl-5-phenyl-2H-tetrazole
CID 329758

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methylphenyl)-2-methyltetrazole?
The IUPAC name of 5-(2-fluoro-6-methylphenyl)-2-methyltetrazole (CID 123970933) is 5-(2-fluoro-6-methylphenyl)-2-methyltetrazole.
What is the SMILES notation for 5-(2-fluoro-6-methylphenyl)-2-methyltetrazole?
The canonical SMILES for 5-(2-fluoro-6-methylphenyl)-2-methyltetrazole is Cc1cccc(F)c1-c1nnn(C)n1.
What is the InChIKey of 5-(2-fluoro-6-methylphenyl)-2-methyltetrazole?
The InChIKey is HBSAGZZTWZXIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c1-6-4-3-5-7(10)8(6)9-11-13-14(2)12-9/h3-5H,1-2H3.
What are the key properties of 5-(2-fluoro-6-methylphenyl)-2-methyltetrazole?
5-(2-fluoro-6-methylphenyl)-2-methyltetrazole has a molecular weight of 192.20 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methylphenyl)-2-methyltetrazole is sourced from PubChem (CID 123970933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).