5-heptan-4-yl-2H-tetrazole

C8H16N4 — CID 3069938

IUPAC5-heptan-4-yl-2H-tetrazole
SMILESCCCC(CCC)c1nn[nH]n1
InChIInChI=1S/C8H16N4/c1-3-5-7(6-4-2)8-9-11-12-10-8/h7H,3-6H2,1-2H3,(H,9,10,11,12)
InChIKeyOYQZMQLGNFRLLJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.88
Rot. Bonds5

About 5-heptan-4-yl-2H-tetrazole

5-heptan-4-yl-2H-tetrazole (PubChem CID 3069938) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-heptan-4-yl-2H-tetrazole.

Molecular Properties

Compound Name5-heptan-4-yl-2H-tetrazole
PubChem CID3069938
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name5-heptan-4-yl-2H-tetrazole
SMILESCCCC(CCC)c1nn[nH]n1
InChIInChI=1S/C8H16N4/c1-3-5-7(6-4-2)8-9-11-12-10-8/h7H,3-6H2,1-2H3,(H,9,10,11,12)
InChIKeyOYQZMQLGNFRLLJ-UHFFFAOYSA-N
XLogP1.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-heptan-4-yl-2H-tetrazole?
The IUPAC name of 5-heptan-4-yl-2H-tetrazole (CID 3069938) is 5-heptan-4-yl-2H-tetrazole.
What is the SMILES notation for 5-heptan-4-yl-2H-tetrazole?
The canonical SMILES for 5-heptan-4-yl-2H-tetrazole is CCCC(CCC)c1nn[nH]n1.
What is the InChIKey of 5-heptan-4-yl-2H-tetrazole?
The InChIKey is OYQZMQLGNFRLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-3-5-7(6-4-2)8-9-11-12-10-8/h7H,3-6H2,1-2H3,(H,9,10,11,12).
What are the key properties of 5-heptan-4-yl-2H-tetrazole?
5-heptan-4-yl-2H-tetrazole has a molecular weight of 168.24 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-4-yl-2H-tetrazole is sourced from PubChem (CID 3069938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).