1-(3-chlorocyclohexyl)tetrazole

C7H11ClN4 — CID 23454027

IUPAC1-(3-chlorocyclohexyl)tetrazole
SMILESClC1CCCC(n2cnnn2)C1
InChIInChI=1S/C7H11ClN4/c8-6-2-1-3-7(4-6)12-5-9-10-11-12/h5-7H,1-4H2
InChIKeyIGOHSANFVSISQQ-UHFFFAOYSA-N
MW186.65 g/mol
LogP1.40
Rot. Bonds1

About 1-(3-chlorocyclohexyl)tetrazole

1-(3-chlorocyclohexyl)tetrazole (PubChem CID 23454027) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 1-(3-chlorocyclohexyl)tetrazole.

Molecular Properties

Compound Name1-(3-chlorocyclohexyl)tetrazole
PubChem CID23454027
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name1-(3-chlorocyclohexyl)tetrazole
SMILESClC1CCCC(n2cnnn2)C1
InChIInChI=1S/C7H11ClN4/c8-6-2-1-3-7(4-6)12-5-9-10-11-12/h5-7H,1-4H2
InChIKeyIGOHSANFVSISQQ-UHFFFAOYSA-N
XLogP1.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(tetrazol-1-yl)cyclohexyl]ethanone
CID 58356128
[4-(tetrazol-1-yl)cyclohexyl]methanol
CID 123336370
1-pyrrolidin-2-yltetrazole
CID 66850834
trans-(1S,3S)-1,3-dichlorocyclohexane
CID 22214628
1-[(1R,2R)-2-ethoxycyclopentyl]tetrazole
CID 167946537
1-methyl-4-(5-methyltetrazol-1-yl)piperidine;1-methyl-4-(tetrazol-1-yl)piperidine
CID 162262113
1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole
CID 59618315
(2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 26327468
azepan-1-yl-[(2S,4R)-1-[(4-phenylphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidin-2-yl]methanone
CID 26361322
(2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 26363313
3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane
CID 67986584
(2S,4S)-1-benzyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 25364191

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclohexyl)tetrazole?
The IUPAC name of 1-(3-chlorocyclohexyl)tetrazole (CID 23454027) is 1-(3-chlorocyclohexyl)tetrazole.
What is the SMILES notation for 1-(3-chlorocyclohexyl)tetrazole?
The canonical SMILES for 1-(3-chlorocyclohexyl)tetrazole is ClC1CCCC(n2cnnn2)C1.
What is the InChIKey of 1-(3-chlorocyclohexyl)tetrazole?
The InChIKey is IGOHSANFVSISQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4/c8-6-2-1-3-7(4-6)12-5-9-10-11-12/h5-7H,1-4H2.
What are the key properties of 1-(3-chlorocyclohexyl)tetrazole?
1-(3-chlorocyclohexyl)tetrazole has a molecular weight of 186.65 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclohexyl)tetrazole is sourced from PubChem (CID 23454027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).