2-(3-fluorophenyl)tetrazol-5-amine

C7H6FN5 — CID 162342568

IUPAC2-(3-fluorophenyl)tetrazol-5-amine
SMILESNc1nnn(-c2cccc(F)c2)n1
InChIInChI=1S/C7H6FN5/c8-5-2-1-3-6(4-5)13-11-7(9)10-12-13/h1-4H,(H2,9,11)
InChIKeyQDXWMZLSUNLFDC-UHFFFAOYSA-N
MW179.16 g/mol
LogP0.38
Rot. Bonds1

About 2-(3-fluorophenyl)tetrazol-5-amine

2-(3-fluorophenyl)tetrazol-5-amine (PubChem CID 162342568) has the molecular formula C7H6FN5 and a molecular weight of 179.16 g/mol. Its IUPAC name is 2-(3-fluorophenyl)tetrazol-5-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)tetrazol-5-amine
PubChem CID162342568
Molecular FormulaC7H6FN5
Molecular Weight179.16 g/mol
Exact Mass179.06
IUPAC Name2-(3-fluorophenyl)tetrazol-5-amine
SMILESNc1nnn(-c2cccc(F)c2)n1
InChIInChI=1S/C7H6FN5/c8-5-2-1-3-6(4-5)13-11-7(9)10-12-13/h1-4H,(H2,9,11)
InChIKeyQDXWMZLSUNLFDC-UHFFFAOYSA-N
XLogP0.38
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Phenyl-2H-tetrazole
CID 285116
4-(2H-1,2,3,4-tetrazol-2-yl)aniline
CID 571639
3-Phenyloxatriazol-3-ium-5-amine chloride
CID 319742
5-(Trifluoromethyl)-2-phenyl-2H-tetrazole
CID 69032028
2-Phenyltetrazole-5-carbonitrile
CID 285117
2-Phenyl-2H-tetrazol-5-amine
CID 323201
2,3-Diphenyltetrazol-2-ium-5-thiolate
CID 12204001
Tetrazol-1-ylphenylamine
CID 18671860
Chloride-3-phenyl tetrazolium
CID 22988401
5-Bromo-2-phenyltetrazole
CID 69031180
2-Methyl-3-phenyltetrazol-2-ium
CID 89605909
5-Methylsulfanyl-2-phenyltetrazole
CID 102590923

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)tetrazol-5-amine?
The IUPAC name of 2-(3-fluorophenyl)tetrazol-5-amine (CID 162342568) is 2-(3-fluorophenyl)tetrazol-5-amine.
What is the SMILES notation for 2-(3-fluorophenyl)tetrazol-5-amine?
The canonical SMILES for 2-(3-fluorophenyl)tetrazol-5-amine is Nc1nnn(-c2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)tetrazol-5-amine?
The InChIKey is QDXWMZLSUNLFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN5/c8-5-2-1-3-6(4-5)13-11-7(9)10-12-13/h1-4H,(H2,9,11).
What are the key properties of 2-(3-fluorophenyl)tetrazol-5-amine?
2-(3-fluorophenyl)tetrazol-5-amine has a molecular weight of 179.16 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)tetrazol-5-amine is sourced from PubChem (CID 162342568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).