2,5-ditert-butyltetrazole

C9H18N4 — CID 15939362

IUPAC2,5-ditert-butyltetrazole
SMILESCC(C)(C)c1nnn(C(C)(C)C)n1
InChIInChI=1S/C9H18N4/c1-8(2,3)7-10-12-13(11-7)9(4,5)6/h1-6H3
InChIKeyRJTDUTAQLYUYIA-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.73
Rot. Bonds

About 2,5-ditert-butyltetrazole

2,5-ditert-butyltetrazole (PubChem CID 15939362) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2,5-ditert-butyltetrazole.

Molecular Properties

Compound Name2,5-ditert-butyltetrazole
PubChem CID15939362
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2,5-ditert-butyltetrazole
SMILESCC(C)(C)c1nnn(C(C)(C)C)n1
InChIInChI=1S/C9H18N4/c1-8(2,3)7-10-12-13(11-7)9(4,5)6/h1-6H3
InChIKeyRJTDUTAQLYUYIA-UHFFFAOYSA-N
XLogP1.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyltetrazole?
The IUPAC name of 2,5-ditert-butyltetrazole (CID 15939362) is 2,5-ditert-butyltetrazole.
What is the SMILES notation for 2,5-ditert-butyltetrazole?
The canonical SMILES for 2,5-ditert-butyltetrazole is CC(C)(C)c1nnn(C(C)(C)C)n1.
What is the InChIKey of 2,5-ditert-butyltetrazole?
The InChIKey is RJTDUTAQLYUYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-8(2,3)7-10-12-13(11-7)9(4,5)6/h1-6H3.
What are the key properties of 2,5-ditert-butyltetrazole?
2,5-ditert-butyltetrazole has a molecular weight of 182.27 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyltetrazole is sourced from PubChem (CID 15939362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).