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

C17H16N4O — CID 46890339

IUPAC1-phenyl-4-(1-phenyltetrazol-5-yl)butan-2-one
SMILESO=C(CCc1nnnn1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H16N4O/c22-16(13-14-7-3-1-4-8-14)11-12-17-18-19-20-21(17)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyFPYZSRILLJGVMX-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.41
Rot. Bonds6

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

1-phenyl-4-(1-phenyltetrazol-5-yl)butan-2-one (PubChem CID 46890339) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-phenyl-4-(1-phenyltetrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name1-phenyl-4-(1-phenyltetrazol-5-yl)butan-2-one
PubChem CID46890339
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-phenyl-4-(1-phenyltetrazol-5-yl)butan-2-one
SMILESO=C(CCc1nnnn1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H16N4O/c22-16(13-14-7-3-1-4-8-14)11-12-17-18-19-20-21(17)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyFPYZSRILLJGVMX-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(1-phenyltetrazol-5-yl)butan-2-one?
The IUPAC name of 1-phenyl-4-(1-phenyltetrazol-5-yl)butan-2-one (CID 46890339) is 1-phenyl-4-(1-phenyltetrazol-5-yl)butan-2-one.
What is the SMILES notation for 1-phenyl-4-(1-phenyltetrazol-5-yl)butan-2-one?
The canonical SMILES for 1-phenyl-4-(1-phenyltetrazol-5-yl)butan-2-one is O=C(CCc1nnnn1-c1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-phenyl-4-(1-phenyltetrazol-5-yl)butan-2-one?
The InChIKey is FPYZSRILLJGVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-16(13-14-7-3-1-4-8-14)11-12-17-18-19-20-21(17)15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 1-phenyl-4-(1-phenyltetrazol-5-yl)butan-2-one?
1-phenyl-4-(1-phenyltetrazol-5-yl)butan-2-one has a molecular weight of 292.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(1-phenyltetrazol-5-yl)butan-2-one is sourced from PubChem (CID 46890339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).