4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one

C17H16N4O — CID 44604419

IUPAC4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one
SMILESO=C(CCc1ccccc1)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H16N4O/c22-16(12-11-14-7-3-1-4-8-14)13-21-19-17(18-20-21)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyUGFJXGXUEPFKDN-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.54
Rot. Bonds6

About 4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one

4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one (PubChem CID 44604419) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one.

Molecular Properties

Compound Name4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one
PubChem CID44604419
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one
SMILESO=C(CCc1ccccc1)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H16N4O/c22-16(12-11-14-7-3-1-4-8-14)13-21-19-17(18-20-21)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyUGFJXGXUEPFKDN-UHFFFAOYSA-N
XLogP2.54
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one?
The IUPAC name of 4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one (CID 44604419) is 4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one.
What is the SMILES notation for 4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one?
The canonical SMILES for 4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one is O=C(CCc1ccccc1)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one?
The InChIKey is UGFJXGXUEPFKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-16(12-11-14-7-3-1-4-8-14)13-21-19-17(18-20-21)15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one?
4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one has a molecular weight of 292.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(5-phenyltetrazol-2-yl)butan-2-one is sourced from PubChem (CID 44604419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).