5-(4-azidobutyl)-1-cyclohexyltetrazole

C11H19N7 — CID 151625590

IUPAC5-(4-azidobutyl)-1-cyclohexyltetrazole
SMILES[N-]=[N+]=NCCCCc1nnnn1C1CCCCC1
InChIInChI=1S/C11H19N7/c12-15-13-9-5-4-8-11-14-16-17-18(11)10-6-2-1-3-7-10/h10H,1-9H2
InChIKeyQPKWPVGFPLAKAQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.81
Rot. Bonds6

About 5-(4-azidobutyl)-1-cyclohexyltetrazole

5-(4-azidobutyl)-1-cyclohexyltetrazole (PubChem CID 151625590) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-(4-azidobutyl)-1-cyclohexyltetrazole.

Molecular Properties

Compound Name5-(4-azidobutyl)-1-cyclohexyltetrazole
PubChem CID151625590
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name5-(4-azidobutyl)-1-cyclohexyltetrazole
SMILES[N-]=[N+]=NCCCCc1nnnn1C1CCCCC1
InChIInChI=1S/C11H19N7/c12-15-13-9-5-4-8-11-14-16-17-18(11)10-6-2-1-3-7-10/h10H,1-9H2
InChIKeyQPKWPVGFPLAKAQ-UHFFFAOYSA-N
XLogP2.81
TPSA92.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-azidobutyl)-1-cyclohexyltetrazole?
The IUPAC name of 5-(4-azidobutyl)-1-cyclohexyltetrazole (CID 151625590) is 5-(4-azidobutyl)-1-cyclohexyltetrazole.
What is the SMILES notation for 5-(4-azidobutyl)-1-cyclohexyltetrazole?
The canonical SMILES for 5-(4-azidobutyl)-1-cyclohexyltetrazole is [N-]=[N+]=NCCCCc1nnnn1C1CCCCC1.
What is the InChIKey of 5-(4-azidobutyl)-1-cyclohexyltetrazole?
The InChIKey is QPKWPVGFPLAKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7/c12-15-13-9-5-4-8-11-14-16-17-18(11)10-6-2-1-3-7-10/h10H,1-9H2.
What are the key properties of 5-(4-azidobutyl)-1-cyclohexyltetrazole?
5-(4-azidobutyl)-1-cyclohexyltetrazole has a molecular weight of 249.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-azidobutyl)-1-cyclohexyltetrazole is sourced from PubChem (CID 151625590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).