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

C18H18N4O — CID 46890421

IUPAC1-phenyl-5-(1-phenyltetrazol-5-yl)pentan-3-one
SMILESO=C(CCc1ccccc1)CCc1nnnn1-c1ccccc1
InChIInChI=1S/C18H18N4O/c23-17(12-11-15-7-3-1-4-8-15)13-14-18-19-20-21-22(18)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyHLLGNDVUCCRCKE-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.80
Rot. Bonds7

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

1-phenyl-5-(1-phenyltetrazol-5-yl)pentan-3-one (PubChem CID 46890421) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-phenyl-5-(1-phenyltetrazol-5-yl)pentan-3-one.

Molecular Properties

Compound Name1-phenyl-5-(1-phenyltetrazol-5-yl)pentan-3-one
PubChem CID46890421
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-phenyl-5-(1-phenyltetrazol-5-yl)pentan-3-one
SMILESO=C(CCc1ccccc1)CCc1nnnn1-c1ccccc1
InChIInChI=1S/C18H18N4O/c23-17(12-11-15-7-3-1-4-8-15)13-14-18-19-20-21-22(18)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyHLLGNDVUCCRCKE-UHFFFAOYSA-N
XLogP2.80
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylamino)-1-phenyl-2-(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)prop-2-en-1-one
CID 2825454
Propenone, 2-[1-(4-fluorophenyl)-5-tetrazolyl]-3-dimethylamino-1-phenyl-
CID 2825456
1-phenyl-4-(1-phenyl-1H-tetrazol-5-yl)butan-2-one
CID 46890339
1-phenyl-3-(1-o-tolyl-1H-tetrazol-5-yl)propan-1-one
CID 46890277
1-cyclohexyl-3-(1-phenyl-1H-tetrazol-5-yl)propan-1-one
CID 46890465
1-(4-fluorophenyl)-3-(1-phenyl-1H-tetrazol-5-yl)propan-1-one
CID 46890423
1-Phenyl-2-(1-phenyltetrazol-5-yl)-3-pyrrolidin-1-ylprop-2-en-1-one
CID 3821041
(2Z)-1-phenyl-2-(1-phenyl(1,2,3,4-tetraazol-5-yl))-3-pyrrolidinylprop-2-en-1-o ne
CID 2825870
3-(1-Phenyl-1H-1,2,3,4-tetrazol-5-YL)-1-(1-phenylcyclopropanecarbonyl)piperidine
CID 124043322
1-(4-Methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone
CID 24976373
1-(4-Chlorophenyl)-2-(1-phenyltetrazol-5-yl)ethanone
CID 85567052
(2R)-3-(4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]-3-oxopropanenitrile
CID 27046701

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(1-phenyltetrazol-5-yl)pentan-3-one?
The IUPAC name of 1-phenyl-5-(1-phenyltetrazol-5-yl)pentan-3-one (CID 46890421) is 1-phenyl-5-(1-phenyltetrazol-5-yl)pentan-3-one.
What is the SMILES notation for 1-phenyl-5-(1-phenyltetrazol-5-yl)pentan-3-one?
The canonical SMILES for 1-phenyl-5-(1-phenyltetrazol-5-yl)pentan-3-one is O=C(CCc1ccccc1)CCc1nnnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-(1-phenyltetrazol-5-yl)pentan-3-one?
The InChIKey is HLLGNDVUCCRCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-17(12-11-15-7-3-1-4-8-15)13-14-18-19-20-21-22(18)16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of 1-phenyl-5-(1-phenyltetrazol-5-yl)pentan-3-one?
1-phenyl-5-(1-phenyltetrazol-5-yl)pentan-3-one has a molecular weight of 306.37 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(1-phenyltetrazol-5-yl)pentan-3-one is sourced from PubChem (CID 46890421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).