1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one

C14H11FN4O — CID 17482252

IUPAC1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one
SMILESO=c1n(Cc2cccc(F)c2)nnn1-c1ccccc1
InChIInChI=1S/C14H11FN4O/c15-12-6-4-5-11(9-12)10-18-14(20)19(17-16-18)13-7-2-1-3-8-13/h1-9H,10H2
InChIKeyZBJQCJJPKLFBNW-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.62
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one

1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one (PubChem CID 17482252) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one
PubChem CID17482252
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one
SMILESO=c1n(Cc2cccc(F)c2)nnn1-c1ccccc1
InChIInChI=1S/C14H11FN4O/c15-12-6-4-5-11(9-12)10-18-14(20)19(17-16-18)13-7-2-1-3-8-13/h1-9H,10H2
InChIKeyZBJQCJJPKLFBNW-UHFFFAOYSA-N
XLogP1.62
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one (CID 17482252) is 1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one is O=c1n(Cc2cccc(F)c2)nnn1-c1ccccc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one?
The InChIKey is ZBJQCJJPKLFBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-12-6-4-5-11(9-12)10-18-14(20)19(17-16-18)13-7-2-1-3-8-13/h1-9H,10H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one?
1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one has a molecular weight of 270.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one is sourced from PubChem (CID 17482252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).