1-benzyl-4-phenyltetrazol-5-one

C14H12N4O — CID 15446288

IUPAC1-benzyl-4-phenyltetrazol-5-one
SMILESO=c1n(Cc2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C14H12N4O/c19-14-17(11-12-7-3-1-4-8-12)15-16-18(14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyRNZWMSBRXLMBTL-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.48
Rot. Bonds3

About 1-benzyl-4-phenyltetrazol-5-one

1-benzyl-4-phenyltetrazol-5-one (PubChem CID 15446288) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-benzyl-4-phenyltetrazol-5-one.

Molecular Properties

Compound Name1-benzyl-4-phenyltetrazol-5-one
PubChem CID15446288
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name1-benzyl-4-phenyltetrazol-5-one
SMILESO=c1n(Cc2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C14H12N4O/c19-14-17(11-12-7-3-1-4-8-12)15-16-18(14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyRNZWMSBRXLMBTL-UHFFFAOYSA-N
XLogP1.48
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenyltetrazol-5-one?
The IUPAC name of 1-benzyl-4-phenyltetrazol-5-one (CID 15446288) is 1-benzyl-4-phenyltetrazol-5-one.
What is the SMILES notation for 1-benzyl-4-phenyltetrazol-5-one?
The canonical SMILES for 1-benzyl-4-phenyltetrazol-5-one is O=c1n(Cc2ccccc2)nnn1-c1ccccc1.
What is the InChIKey of 1-benzyl-4-phenyltetrazol-5-one?
The InChIKey is RNZWMSBRXLMBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c19-14-17(11-12-7-3-1-4-8-12)15-16-18(14)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 1-benzyl-4-phenyltetrazol-5-one?
1-benzyl-4-phenyltetrazol-5-one has a molecular weight of 252.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenyltetrazol-5-one is sourced from PubChem (CID 15446288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).