1-(3,5-difluorophenyl)tetrazol-5-amine

C7H5F2N5 — CID 79505913

IUPAC1-(3,5-difluorophenyl)tetrazol-5-amine
SMILESNc1nnnn1-c1cc(F)cc(F)c1
InChIInChI=1S/C7H5F2N5/c8-4-1-5(9)3-6(2-4)14-7(10)11-12-13-14/h1-3H,(H2,10,11,13)
InChIKeyUAUPCXQGQZZSBA-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.52
Rot. Bonds1

About 1-(3,5-difluorophenyl)tetrazol-5-amine

1-(3,5-difluorophenyl)tetrazol-5-amine (PubChem CID 79505913) has the molecular formula C7H5F2N5 and a molecular weight of 197.15 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)tetrazol-5-amine
PubChem CID79505913
Molecular FormulaC7H5F2N5
Molecular Weight197.15 g/mol
Exact Mass197.05
IUPAC Name1-(3,5-difluorophenyl)tetrazol-5-amine
SMILESNc1nnnn1-c1cc(F)cc(F)c1
InChIInChI=1S/C7H5F2N5/c8-4-1-5(9)3-6(2-4)14-7(10)11-12-13-14/h1-3H,(H2,10,11,13)
InChIKeyUAUPCXQGQZZSBA-UHFFFAOYSA-N
XLogP0.52
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)tetrazol-5-amine?
The IUPAC name of 1-(3,5-difluorophenyl)tetrazol-5-amine (CID 79505913) is 1-(3,5-difluorophenyl)tetrazol-5-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)tetrazol-5-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)tetrazol-5-amine is Nc1nnnn1-c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)tetrazol-5-amine?
The InChIKey is UAUPCXQGQZZSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N5/c8-4-1-5(9)3-6(2-4)14-7(10)11-12-13-14/h1-3H,(H2,10,11,13).
What are the key properties of 1-(3,5-difluorophenyl)tetrazol-5-amine?
1-(3,5-difluorophenyl)tetrazol-5-amine has a molecular weight of 197.15 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)tetrazol-5-amine is sourced from PubChem (CID 79505913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).