2-butyl-5-tert-butyltetrazole

C9H18N4 — CID 69030779

IUPAC2-butyl-5-tert-butyltetrazole
SMILESCCCCn1nnc(C(C)(C)C)n1
InChIInChI=1S/C9H18N4/c1-5-6-7-13-11-8(10-12-13)9(2,3)4/h5-7H2,1-4H3
InChIKeyDDBFDEPQYIDCSV-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.77
Rot. Bonds3

About 2-butyl-5-tert-butyltetrazole

2-butyl-5-tert-butyltetrazole (PubChem CID 69030779) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-butyl-5-tert-butyltetrazole.

Molecular Properties

Compound Name2-butyl-5-tert-butyltetrazole
PubChem CID69030779
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-butyl-5-tert-butyltetrazole
SMILESCCCCn1nnc(C(C)(C)C)n1
InChIInChI=1S/C9H18N4/c1-5-6-7-13-11-8(10-12-13)9(2,3)4/h5-7H2,1-4H3
InChIKeyDDBFDEPQYIDCSV-UHFFFAOYSA-N
XLogP1.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-tert-butyltetrazole?
The IUPAC name of 2-butyl-5-tert-butyltetrazole (CID 69030779) is 2-butyl-5-tert-butyltetrazole.
What is the SMILES notation for 2-butyl-5-tert-butyltetrazole?
The canonical SMILES for 2-butyl-5-tert-butyltetrazole is CCCCn1nnc(C(C)(C)C)n1.
What is the InChIKey of 2-butyl-5-tert-butyltetrazole?
The InChIKey is DDBFDEPQYIDCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-5-6-7-13-11-8(10-12-13)9(2,3)4/h5-7H2,1-4H3.
What are the key properties of 2-butyl-5-tert-butyltetrazole?
2-butyl-5-tert-butyltetrazole has a molecular weight of 182.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-tert-butyltetrazole is sourced from PubChem (CID 69030779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).