1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole

C11H12BrFN4 — CID 107592775

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole
SMILESCCCc1nnnn1-c1cc(Br)c(F)cc1C
InChIInChI=1S/C11H12BrFN4/c1-3-4-11-14-15-16-17(11)10-6-8(12)9(13)5-7(10)2/h5-6H,3-4H2,1-2H3
InChIKeyCTKZAPKWCXKHFE-UHFFFAOYSA-N
MW299.15 g/mol
LogP2.82
Rot. Bonds3

About 1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole

1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole (PubChem CID 107592775) has the molecular formula C11H12BrFN4 and a molecular weight of 299.15 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole
PubChem CID107592775
Molecular FormulaC11H12BrFN4
Molecular Weight299.15 g/mol
Exact Mass298.02
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole
SMILESCCCc1nnnn1-c1cc(Br)c(F)cc1C
InChIInChI=1S/C11H12BrFN4/c1-3-4-11-14-15-16-17(11)10-6-8(12)9(13)5-7(10)2/h5-6H,3-4H2,1-2H3
InChIKeyCTKZAPKWCXKHFE-UHFFFAOYSA-N
XLogP2.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 107594138
1-(4-bromo-2-methylphenyl)-5-propyltetrazole
CID 62083280
4,5-dimethyl-2-(5-propyltetrazol-1-yl)aniline
CID 62098105
4-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
CID 107593850
5-fluoro-2-(5-propyltetrazol-1-yl)aniline
CID 62081162
3-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
CID 107593848
1-[1-(5-bromo-4-fluoro-2-methylphenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107593569
3-fluoro-4-(5-propyltetrazol-1-yl)benzoic acid
CID 63189878
2-bromo-5-(5-propyltetrazol-1-yl)aniline
CID 79768330
1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole
CID 65431446
4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline
CID 104815350
N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736639

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole (CID 107592775) is 1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole is CCCc1nnnn1-c1cc(Br)c(F)cc1C.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole?
The InChIKey is CTKZAPKWCXKHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN4/c1-3-4-11-14-15-16-17(11)10-6-8(12)9(13)5-7(10)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole?
1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole has a molecular weight of 299.15 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole is sourced from PubChem (CID 107592775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).