1,4-diphenyltetrazol-5-one

C13H10N4O — CID 13443959

IUPAC1,4-diphenyltetrazol-5-one
SMILESO=c1n(-c2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C13H10N4O/c18-13-16(11-7-3-1-4-8-11)14-15-17(13)12-9-5-2-6-10-12/h1-10H
InChIKeyIREZYZSLCOVOSZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.42
Rot. Bonds2

About 1,4-diphenyltetrazol-5-one

1,4-diphenyltetrazol-5-one (PubChem CID 13443959) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1,4-diphenyltetrazol-5-one.

Molecular Properties

Compound Name1,4-diphenyltetrazol-5-one
PubChem CID13443959
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name1,4-diphenyltetrazol-5-one
SMILESO=c1n(-c2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C13H10N4O/c18-13-16(11-7-3-1-4-8-11)14-15-17(13)12-9-5-2-6-10-12/h1-10H
InChIKeyIREZYZSLCOVOSZ-UHFFFAOYSA-N
XLogP1.42
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyltetrazol-5-one?
The IUPAC name of 1,4-diphenyltetrazol-5-one (CID 13443959) is 1,4-diphenyltetrazol-5-one.
What is the SMILES notation for 1,4-diphenyltetrazol-5-one?
The canonical SMILES for 1,4-diphenyltetrazol-5-one is O=c1n(-c2ccccc2)nnn1-c1ccccc1.
What is the InChIKey of 1,4-diphenyltetrazol-5-one?
The InChIKey is IREZYZSLCOVOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13-16(11-7-3-1-4-8-11)14-15-17(13)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 1,4-diphenyltetrazol-5-one?
1,4-diphenyltetrazol-5-one has a molecular weight of 238.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyltetrazol-5-one is sourced from PubChem (CID 13443959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).