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

C16H20N4O — CID 46890465

IUPAC1-cyclohexyl-3-(1-phenyltetrazol-5-yl)propan-1-one
SMILESO=C(CCc1nnnn1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H20N4O/c21-15(13-7-3-1-4-8-13)11-12-16-17-18-19-20(16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
InChIKeyDQNZXTDCALSTCJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.74
Rot. Bonds5

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

1-cyclohexyl-3-(1-phenyltetrazol-5-yl)propan-1-one (PubChem CID 46890465) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-phenyltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-phenyltetrazol-5-yl)propan-1-one
PubChem CID46890465
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-cyclohexyl-3-(1-phenyltetrazol-5-yl)propan-1-one
SMILESO=C(CCc1nnnn1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H20N4O/c21-15(13-7-3-1-4-8-13)11-12-16-17-18-19-20(16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
InChIKeyDQNZXTDCALSTCJ-UHFFFAOYSA-N
XLogP2.74
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-phenyltetrazol-5-yl)propan-1-one?
The IUPAC name of 1-cyclohexyl-3-(1-phenyltetrazol-5-yl)propan-1-one (CID 46890465) is 1-cyclohexyl-3-(1-phenyltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 1-cyclohexyl-3-(1-phenyltetrazol-5-yl)propan-1-one?
The canonical SMILES for 1-cyclohexyl-3-(1-phenyltetrazol-5-yl)propan-1-one is O=C(CCc1nnnn1-c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(1-phenyltetrazol-5-yl)propan-1-one?
The InChIKey is DQNZXTDCALSTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-15(13-7-3-1-4-8-13)11-12-16-17-18-19-20(16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2.
What are the key properties of 1-cyclohexyl-3-(1-phenyltetrazol-5-yl)propan-1-one?
1-cyclohexyl-3-(1-phenyltetrazol-5-yl)propan-1-one has a molecular weight of 284.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-phenyltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 46890465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).