1,5-dibutyltetrazole

C9H18N4 — CID 69031174

IUPAC1,5-dibutyltetrazole
SMILESCCCCc1nnnn1CCCC
InChIInChI=1S/C9H18N4/c1-3-5-7-9-10-11-12-13(9)8-6-4-2/h3-8H2,1-2H3
InChIKeyHGFBELITPGRAMC-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.82
Rot. Bonds6

About 1,5-dibutyltetrazole

1,5-dibutyltetrazole (PubChem CID 69031174) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1,5-dibutyltetrazole.

Molecular Properties

Compound Name1,5-dibutyltetrazole
PubChem CID69031174
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1,5-dibutyltetrazole
SMILESCCCCc1nnnn1CCCC
InChIInChI=1S/C9H18N4/c1-3-5-7-9-10-11-12-13(9)8-6-4-2/h3-8H2,1-2H3
InChIKeyHGFBELITPGRAMC-UHFFFAOYSA-N
XLogP1.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibutyltetrazole?
The IUPAC name of 1,5-dibutyltetrazole (CID 69031174) is 1,5-dibutyltetrazole.
What is the SMILES notation for 1,5-dibutyltetrazole?
The canonical SMILES for 1,5-dibutyltetrazole is CCCCc1nnnn1CCCC.
What is the InChIKey of 1,5-dibutyltetrazole?
The InChIKey is HGFBELITPGRAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-5-7-9-10-11-12-13(9)8-6-4-2/h3-8H2,1-2H3.
What are the key properties of 1,5-dibutyltetrazole?
1,5-dibutyltetrazole has a molecular weight of 182.27 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibutyltetrazole is sourced from PubChem (CID 69031174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).