[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium

C15H21ClN5+ — CID 7250269

IUPAC[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium
SMILESC[NH+](C)C1(c2nnnn2-c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C15H20ClN5/c1-20(2)15(9-4-3-5-10-15)14-17-18-19-21(14)13-8-6-7-12(16)11-13/h6-8,11H,3-5,9-10H2,1-2H3/p+1
InChIKeyVHMPRERYHHNAQU-UHFFFAOYSA-O
MW306.82 g/mol
LogP1.62
Rot. Bonds3

About [1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium

[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium (PubChem CID 7250269) has the molecular formula C15H21ClN5+ and a molecular weight of 306.82 g/mol. Its IUPAC name is [1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium.

Molecular Properties

Compound Name[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium
PubChem CID7250269
Molecular FormulaC15H21ClN5+
Molecular Weight306.82 g/mol
Exact Mass306.15
IUPAC Name[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium
SMILESC[NH+](C)C1(c2nnnn2-c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C15H20ClN5/c1-20(2)15(9-4-3-5-10-15)14-17-18-19-21(14)13-8-6-7-12(16)11-13/h6-8,11H,3-5,9-10H2,1-2H3/p+1
InChIKeyVHMPRERYHHNAQU-UHFFFAOYSA-O
XLogP1.62
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-(4-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium
CID 7282481
ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
CID 53297705
4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 50812242
1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine
CID 122174375
1-(3-chlorophenyl)-5-phenyltetrazole
CID 854387
N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737561
1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8859984
1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
CID 30309738
2-[1-(3-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 61353438
N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine
CID 30311781
1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine
CID 122174373
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312108

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium?
The IUPAC name of [1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium (CID 7250269) is [1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium.
What is the SMILES notation for [1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium?
The canonical SMILES for [1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium is C[NH+](C)C1(c2nnnn2-c2cccc(Cl)c2)CCCCC1.
What is the InChIKey of [1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium?
The InChIKey is VHMPRERYHHNAQU-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20ClN5/c1-20(2)15(9-4-3-5-10-15)14-17-18-19-21(14)13-8-6-7-12(16)11-13/h6-8,11H,3-5,9-10H2,1-2H3/p+1.
What are the key properties of [1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium?
[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium has a molecular weight of 306.82 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium is sourced from PubChem (CID 7250269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).