4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one

C7H6FN5O — CID 135621795

IUPAC4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one
SMILESNc1ccc(F)c(-n2nn[nH]c2=O)c1
InChIInChI=1S/C7H6FN5O/c8-5-2-1-4(9)3-6(5)13-7(14)10-11-12-13/h1-3H,9H2,(H,10,12,14)
InChIKeyWVXAUAIVDWAYDE-UHFFFAOYSA-N
MW195.16 g/mol
LogP-0.32
Rot. Bonds1

About 4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one

4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one (PubChem CID 135621795) has the molecular formula C7H6FN5O and a molecular weight of 195.16 g/mol. Its IUPAC name is 4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one.

Molecular Properties

Compound Name4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one
PubChem CID135621795
Molecular FormulaC7H6FN5O
Molecular Weight195.16 g/mol
Exact Mass195.06
IUPAC Name4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one
SMILESNc1ccc(F)c(-n2nn[nH]c2=O)c1
InChIInChI=1S/C7H6FN5O/c8-5-2-1-4(9)3-6(5)13-7(14)10-11-12-13/h1-3H,9H2,(H,10,12,14)
InChIKeyWVXAUAIVDWAYDE-UHFFFAOYSA-N
XLogP-0.32
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one?
The IUPAC name of 4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one (CID 135621795) is 4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one.
What is the SMILES notation for 4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one?
The canonical SMILES for 4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one is Nc1ccc(F)c(-n2nn[nH]c2=O)c1.
What is the InChIKey of 4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one?
The InChIKey is WVXAUAIVDWAYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN5O/c8-5-2-1-4(9)3-6(5)13-7(14)10-11-12-13/h1-3H,9H2,(H,10,12,14).
What are the key properties of 4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one?
4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one has a molecular weight of 195.16 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-fluorophenyl)-1H-tetrazol-5-one is sourced from PubChem (CID 135621795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).