1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine

C7H4BrF2N5 — CID 79506909

IUPAC1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine
SMILESNc1nnnn1-c1c(F)cc(Br)cc1F
InChIInChI=1S/C7H4BrF2N5/c8-3-1-4(9)6(5(10)2-3)15-7(11)12-13-14-15/h1-2H,(H2,11,12,14)
InChIKeyBCASUKYZNGOEMG-UHFFFAOYSA-N
MW276.04 g/mol
LogP1.29
Rot. Bonds1

About 1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine

1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine (PubChem CID 79506909) has the molecular formula C7H4BrF2N5 and a molecular weight of 276.04 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine
PubChem CID79506909
Molecular FormulaC7H4BrF2N5
Molecular Weight276.04 g/mol
Exact Mass274.96
IUPAC Name1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine
SMILESNc1nnnn1-c1c(F)cc(Br)cc1F
InChIInChI=1S/C7H4BrF2N5/c8-3-1-4(9)6(5(10)2-3)15-7(11)12-13-14-15/h1-2H,(H2,11,12,14)
InChIKeyBCASUKYZNGOEMG-UHFFFAOYSA-N
XLogP1.29
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.04
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine (CID 79506909) is 1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine is Nc1nnnn1-c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine?
The InChIKey is BCASUKYZNGOEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2N5/c8-3-1-4(9)6(5(10)2-3)15-7(11)12-13-14-15/h1-2H,(H2,11,12,14).
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine?
1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine has a molecular weight of 276.04 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)tetrazol-5-amine is sourced from PubChem (CID 79506909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).