1-butyl-5-hexyltetrazole

C11H22N4 — CID 56652820

IUPAC1-butyl-5-hexyltetrazole
SMILESCCCCCCc1nnnn1CCCC
InChIInChI=1S/C11H22N4/c1-3-5-7-8-9-11-12-13-14-15(11)10-6-4-2/h3-10H2,1-2H3
InChIKeyXRJQEDREUORXCQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.60
Rot. Bonds8

About 1-butyl-5-hexyltetrazole

1-butyl-5-hexyltetrazole (PubChem CID 56652820) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-butyl-5-hexyltetrazole.

Molecular Properties

Compound Name1-butyl-5-hexyltetrazole
PubChem CID56652820
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-butyl-5-hexyltetrazole
SMILESCCCCCCc1nnnn1CCCC
InChIInChI=1S/C11H22N4/c1-3-5-7-8-9-11-12-13-14-15(11)10-6-4-2/h3-10H2,1-2H3
InChIKeyXRJQEDREUORXCQ-UHFFFAOYSA-N
XLogP2.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-hexyltetrazole?
The IUPAC name of 1-butyl-5-hexyltetrazole (CID 56652820) is 1-butyl-5-hexyltetrazole.
What is the SMILES notation for 1-butyl-5-hexyltetrazole?
The canonical SMILES for 1-butyl-5-hexyltetrazole is CCCCCCc1nnnn1CCCC.
What is the InChIKey of 1-butyl-5-hexyltetrazole?
The InChIKey is XRJQEDREUORXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-5-7-8-9-11-12-13-14-15(11)10-6-4-2/h3-10H2,1-2H3.
What are the key properties of 1-butyl-5-hexyltetrazole?
1-butyl-5-hexyltetrazole has a molecular weight of 210.32 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-hexyltetrazole is sourced from PubChem (CID 56652820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).