2,5-dibutyltetrazole

C9H18N4 — CID 69032108

IUPAC2,5-dibutyltetrazole
SMILESCCCCc1nnn(CCCC)n1
InChIInChI=1S/C9H18N4/c1-3-5-7-9-10-12-13(11-9)8-6-4-2/h3-8H2,1-2H3
InChIKeyDLDDSECQXJTZCR-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.82
Rot. Bonds6

About 2,5-dibutyltetrazole

2,5-dibutyltetrazole (PubChem CID 69032108) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2,5-dibutyltetrazole.

Molecular Properties

Compound Name2,5-dibutyltetrazole
PubChem CID69032108
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2,5-dibutyltetrazole
SMILESCCCCc1nnn(CCCC)n1
InChIInChI=1S/C9H18N4/c1-3-5-7-9-10-12-13(11-9)8-6-4-2/h3-8H2,1-2H3
InChIKeyDLDDSECQXJTZCR-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 2,5-dibutyltetrazole?
The IUPAC name of 2,5-dibutyltetrazole (CID 69032108) is 2,5-dibutyltetrazole.
What is the SMILES notation for 2,5-dibutyltetrazole?
The canonical SMILES for 2,5-dibutyltetrazole is CCCCc1nnn(CCCC)n1.
What is the InChIKey of 2,5-dibutyltetrazole?
The InChIKey is DLDDSECQXJTZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-5-7-9-10-12-13(11-9)8-6-4-2/h3-8H2,1-2H3.
What are the key properties of 2,5-dibutyltetrazole?
2,5-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 2,5-dibutyltetrazole is sourced from PubChem (CID 69032108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).