4-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one

C7H5FN4O — CID 136967579

IUPAC4-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one
SMILES[3H]c1c(F)cccc1-n1nn[nH]c1=O
InChIInChI=1S/C7H5FN4O/c8-5-2-1-3-6(4-5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13)/i4T
InChIKeyUQRJCIVXFYCUDV-IBTRZKOZSA-N
MW182.15 g/mol
LogP0.09
Rot. Bonds1

About 4-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one

4-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one (PubChem CID 136967579) has the molecular formula C7H5FN4O and a molecular weight of 182.15 g/mol. Its IUPAC name is 4-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one.

Molecular Properties

Compound Name4-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one
PubChem CID136967579
Molecular FormulaC7H5FN4O
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name4-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one
SMILES[3H]c1c(F)cccc1-n1nn[nH]c1=O
InChIInChI=1S/C7H5FN4O/c8-5-2-1-3-6(4-5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13)/i4T
InChIKeyUQRJCIVXFYCUDV-IBTRZKOZSA-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 ≤ 500182.15
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-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one?
The IUPAC name of 4-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one (CID 136967579) is 4-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one.
What is the SMILES notation for 4-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one?
The canonical SMILES for 4-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one is [3H]c1c(F)cccc1-n1nn[nH]c1=O.
What is the InChIKey of 4-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one?
The InChIKey is UQRJCIVXFYCUDV-IBTRZKOZSA-N. The full InChI is InChI=1S/C7H5FN4O/c8-5-2-1-3-6(4-5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13)/i4T.
What are the key properties of 4-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one?
4-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one has a molecular weight of 182.15 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-(3-fluoro-2-tritiophenyl)-1H-tetrazol-5-one is sourced from PubChem (CID 136967579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).