1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one

C16H14N4O — CID 46890466

IUPAC1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one
SMILESO=C(CCn1nnnc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4O/c21-15(13-7-3-1-4-8-13)11-12-20-16(17-18-19-20)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyZHUNDWLMFIYDMX-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.61
Rot. Bonds5

About 1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one

1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one (PubChem CID 46890466) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one
PubChem CID46890466
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one
SMILESO=C(CCn1nnnc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4O/c21-15(13-7-3-1-4-8-13)11-12-20-16(17-18-19-20)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyZHUNDWLMFIYDMX-UHFFFAOYSA-N
XLogP2.61
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one?
The IUPAC name of 1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one (CID 46890466) is 1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one is O=C(CCn1nnnc1-c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one?
The InChIKey is ZHUNDWLMFIYDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-15(13-7-3-1-4-8-13)11-12-20-16(17-18-19-20)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one?
1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one has a molecular weight of 278.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(5-phenyltetrazol-1-yl)propan-1-one is sourced from PubChem (CID 46890466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).