1-(2-bromo-3-chlorophenyl)tetrazol-5-amine

C7H5BrClN5 — CID 103481821

IUPAC1-(2-bromo-3-chlorophenyl)tetrazol-5-amine
SMILESNc1nnnn1-c1cccc(Cl)c1Br
InChIInChI=1S/C7H5BrClN5/c8-6-4(9)2-1-3-5(6)14-7(10)11-12-13-14/h1-3H,(H2,10,11,13)
InChIKeyAQKOCUOLVUDKLS-UHFFFAOYSA-N
MW274.51 g/mol
LogP1.66
Rot. Bonds1

About 1-(2-bromo-3-chlorophenyl)tetrazol-5-amine

1-(2-bromo-3-chlorophenyl)tetrazol-5-amine (PubChem CID 103481821) has the molecular formula C7H5BrClN5 and a molecular weight of 274.51 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)tetrazol-5-amine
PubChem CID103481821
Molecular FormulaC7H5BrClN5
Molecular Weight274.51 g/mol
Exact Mass272.94
IUPAC Name1-(2-bromo-3-chlorophenyl)tetrazol-5-amine
SMILESNc1nnnn1-c1cccc(Cl)c1Br
InChIInChI=1S/C7H5BrClN5/c8-6-4(9)2-1-3-5(6)14-7(10)11-12-13-14/h1-3H,(H2,10,11,13)
InChIKeyAQKOCUOLVUDKLS-UHFFFAOYSA-N
XLogP1.66
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.51
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole
CID 103480758
4-[1-(2-bromo-3-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 103481274
1-(2-bromo-3-chlorophenyl)tetrazole
CID 103480298
[1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
CID 62735905
1-quinolin-5-yltetrazol-5-amine
CID 79506210
1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine
CID 79506304
1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-amine
CID 79506698
1-(2-bromo-4-fluorophenyl)tetrazol-5-amine
CID 79506302
2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline
CID 107638733
2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline
CID 115936191
2-chloro-6-[1-(2,6-dibromophenyl)tetrazol-5-yl]aniline
CID 107603020
4-(2-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 103481595

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)tetrazol-5-amine?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)tetrazol-5-amine (CID 103481821) is 1-(2-bromo-3-chlorophenyl)tetrazol-5-amine.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)tetrazol-5-amine?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)tetrazol-5-amine is Nc1nnnn1-c1cccc(Cl)c1Br.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)tetrazol-5-amine?
The InChIKey is AQKOCUOLVUDKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN5/c8-6-4(9)2-1-3-5(6)14-7(10)11-12-13-14/h1-3H,(H2,10,11,13).
What are the key properties of 1-(2-bromo-3-chlorophenyl)tetrazol-5-amine?
1-(2-bromo-3-chlorophenyl)tetrazol-5-amine has a molecular weight of 274.51 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)tetrazol-5-amine is sourced from PubChem (CID 103481821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).