1-[4-(tetrazol-1-yl)cyclohexyl]ethanone

C9H14N4O — CID 58356128

IUPAC1-[4-(tetrazol-1-yl)cyclohexyl]ethanone
SMILESCC(=O)C1CCC(n2cnnn2)CC1
InChIInChI=1S/C9H14N4O/c1-7(14)8-2-4-9(5-3-8)13-6-10-11-12-13/h6,8-9H,2-5H2,1H3
InChIKeyULZBPJOSRGPHJD-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.99
Rot. Bonds2

About 1-[4-(tetrazol-1-yl)cyclohexyl]ethanone

1-[4-(tetrazol-1-yl)cyclohexyl]ethanone (PubChem CID 58356128) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-[4-(tetrazol-1-yl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-(tetrazol-1-yl)cyclohexyl]ethanone
PubChem CID58356128
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-[4-(tetrazol-1-yl)cyclohexyl]ethanone
SMILESCC(=O)C1CCC(n2cnnn2)CC1
InChIInChI=1S/C9H14N4O/c1-7(14)8-2-4-9(5-3-8)13-6-10-11-12-13/h6,8-9H,2-5H2,1H3
InChIKeyULZBPJOSRGPHJD-UHFFFAOYSA-N
XLogP0.99
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[5-(Trifluoromethyl)tetrazol-1-yl]cyclohexyl]ethanone
CID 68302765
1-[4-(5-Methyltetrazol-1-yl)cyclohexyl]ethanone
CID 58356088
1-[4-(1,2,4-Triazol-4-yl)cyclohexyl]ethanone
CID 59689002
1-Cyclohexyl-2-(1,2,4-triazol-1-yl)pentan-3-one
CID 70426665
1-Cyclohexyl-2-(1,2,4-triazol-1-yl)hexan-3-one
CID 70485970
4-(propan-2-yl)-3-(1H-1,2,4-triazol-1-yl)cyclohexan-1-one
CID 165496716
4-methyl-3-(1H-1,2,4-triazol-1-yl)cyclohexan-1-one
CID 165747698
4-propyl-3-(1H-1,2,4-triazol-1-yl)cyclohexan-1-one
CID 165844008
4-ethyl-3-(1H-1,2,4-triazol-1-yl)cyclohexan-1-one
CID 165897607

Frequently Asked Questions

What is the IUPAC name of 1-[4-(tetrazol-1-yl)cyclohexyl]ethanone?
The IUPAC name of 1-[4-(tetrazol-1-yl)cyclohexyl]ethanone (CID 58356128) is 1-[4-(tetrazol-1-yl)cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-(tetrazol-1-yl)cyclohexyl]ethanone?
The canonical SMILES for 1-[4-(tetrazol-1-yl)cyclohexyl]ethanone is CC(=O)C1CCC(n2cnnn2)CC1.
What is the InChIKey of 1-[4-(tetrazol-1-yl)cyclohexyl]ethanone?
The InChIKey is ULZBPJOSRGPHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7(14)8-2-4-9(5-3-8)13-6-10-11-12-13/h6,8-9H,2-5H2,1H3.
What are the key properties of 1-[4-(tetrazol-1-yl)cyclohexyl]ethanone?
1-[4-(tetrazol-1-yl)cyclohexyl]ethanone has a molecular weight of 194.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tetrazol-1-yl)cyclohexyl]ethanone is sourced from PubChem (CID 58356128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).