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

C7H5FN4O — CID 135528298

IUPAC4-(4-fluorophenyl)-1H-tetrazol-5-one
SMILESO=c1[nH]nnn1-c1ccc(F)cc1
InChIInChI=1S/C7H5FN4O/c8-5-1-3-6(4-2-5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13)
InChIKeyKHGLEGNLDJXZOK-UHFFFAOYSA-N
MW180.14 g/mol
LogP0.09
Rot. Bonds1

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

4-(4-fluorophenyl)-1H-tetrazol-5-one (PubChem CID 135528298) has the molecular formula C7H5FN4O and a molecular weight of 180.14 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1H-tetrazol-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1H-tetrazol-5-one
PubChem CID135528298
Molecular FormulaC7H5FN4O
Molecular Weight180.14 g/mol
Exact Mass180.04
IUPAC Name4-(4-fluorophenyl)-1H-tetrazol-5-one
SMILESO=c1[nH]nnn1-c1ccc(F)cc1
InChIInChI=1S/C7H5FN4O/c8-5-1-3-6(4-2-5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13)
InChIKeyKHGLEGNLDJXZOK-UHFFFAOYSA-N
XLogP0.09
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1H-tetrazol-5-one?
The IUPAC name of 4-(4-fluorophenyl)-1H-tetrazol-5-one (CID 135528298) is 4-(4-fluorophenyl)-1H-tetrazol-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1H-tetrazol-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-1H-tetrazol-5-one is O=c1[nH]nnn1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1H-tetrazol-5-one?
The InChIKey is KHGLEGNLDJXZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4O/c8-5-1-3-6(4-2-5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13).
What are the key properties of 4-(4-fluorophenyl)-1H-tetrazol-5-one?
4-(4-fluorophenyl)-1H-tetrazol-5-one has a molecular weight of 180.14 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1H-tetrazol-5-one is sourced from PubChem (CID 135528298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).