5,5-dipropyltetrazole

C7H14N4 — CID 69382727

IUPAC5,5-dipropyltetrazole
SMILESCCCC1(CCC)N=NN=N1
InChIInChI=1S/C7H14N4/c1-3-5-7(6-4-2)8-10-11-9-7/h3-6H2,1-2H3
InChIKeyCKESRWWTKGRSSX-UHFFFAOYSA-N
MW154.22 g/mol
LogP3.12
Rot. Bonds4

About 5,5-dipropyltetrazole

5,5-dipropyltetrazole (PubChem CID 69382727) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 5,5-dipropyltetrazole.

Molecular Properties

Compound Name5,5-dipropyltetrazole
PubChem CID69382727
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name5,5-dipropyltetrazole
SMILESCCCC1(CCC)N=NN=N1
InChIInChI=1S/C7H14N4/c1-3-5-7(6-4-2)8-10-11-9-7/h3-6H2,1-2H3
InChIKeyCKESRWWTKGRSSX-UHFFFAOYSA-N
XLogP3.12
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dipropyltetrazole?
The IUPAC name of 5,5-dipropyltetrazole (CID 69382727) is 5,5-dipropyltetrazole.
What is the SMILES notation for 5,5-dipropyltetrazole?
The canonical SMILES for 5,5-dipropyltetrazole is CCCC1(CCC)N=NN=N1.
What is the InChIKey of 5,5-dipropyltetrazole?
The InChIKey is CKESRWWTKGRSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-5-7(6-4-2)8-10-11-9-7/h3-6H2,1-2H3.
What are the key properties of 5,5-dipropyltetrazole?
5,5-dipropyltetrazole has a molecular weight of 154.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dipropyltetrazole is sourced from PubChem (CID 69382727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).