1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone

C15H17ClN4O — CID 134907750

IUPAC1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone
SMILESO=C(Cc1nnnn1C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN4O/c16-12-8-6-11(7-9-12)14(21)10-15-17-18-19-20(15)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2
InChIKeyOYOCZAICCKQVRG-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.26
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone

1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone (PubChem CID 134907750) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone
PubChem CID134907750
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone
SMILESO=C(Cc1nnnn1C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN4O/c16-12-8-6-11(7-9-12)14(21)10-15-17-18-19-20(15)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2
InChIKeyOYOCZAICCKQVRG-UHFFFAOYSA-N
XLogP3.26
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone (CID 134907750) is 1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone is O=C(Cc1nnnn1C1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone?
The InChIKey is OYOCZAICCKQVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-12-8-6-11(7-9-12)14(21)10-15-17-18-19-20(15)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2.
What are the key properties of 1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone?
1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone has a molecular weight of 304.78 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone is sourced from PubChem (CID 134907750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).