1-[5-(tetrazol-1-yl)pentyl]tetrazole

C7H12N8 — CID 102182711

IUPAC1-[5-(tetrazol-1-yl)pentyl]tetrazole
SMILESc1nnnn1CCCCCn1cnnn1
InChIInChI=1S/C7H12N8/c1(2-4-14-6-8-10-12-14)3-5-15-7-9-11-13-15/h6-7H,1-5H2
InChIKeyPYNILQHXSPRXAZ-UHFFFAOYSA-N
MW208.23 g/mol
LogP-0.47
Rot. Bonds6

About 1-[5-(tetrazol-1-yl)pentyl]tetrazole

1-[5-(tetrazol-1-yl)pentyl]tetrazole (PubChem CID 102182711) has the molecular formula C7H12N8 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-[5-(tetrazol-1-yl)pentyl]tetrazole.

Molecular Properties

Compound Name1-[5-(tetrazol-1-yl)pentyl]tetrazole
PubChem CID102182711
Molecular FormulaC7H12N8
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name1-[5-(tetrazol-1-yl)pentyl]tetrazole
SMILESc1nnnn1CCCCCn1cnnn1
InChIInChI=1S/C7H12N8/c1(2-4-14-6-8-10-12-14)3-5-15-7-9-11-13-15/h6-7H,1-5H2
InChIKeyPYNILQHXSPRXAZ-UHFFFAOYSA-N
XLogP-0.47
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(tetrazol-1-yl)pentyl]tetrazole?
The IUPAC name of 1-[5-(tetrazol-1-yl)pentyl]tetrazole (CID 102182711) is 1-[5-(tetrazol-1-yl)pentyl]tetrazole.
What is the SMILES notation for 1-[5-(tetrazol-1-yl)pentyl]tetrazole?
The canonical SMILES for 1-[5-(tetrazol-1-yl)pentyl]tetrazole is c1nnnn1CCCCCn1cnnn1.
What is the InChIKey of 1-[5-(tetrazol-1-yl)pentyl]tetrazole?
The InChIKey is PYNILQHXSPRXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N8/c1(2-4-14-6-8-10-12-14)3-5-15-7-9-11-13-15/h6-7H,1-5H2.
What are the key properties of 1-[5-(tetrazol-1-yl)pentyl]tetrazole?
1-[5-(tetrazol-1-yl)pentyl]tetrazole has a molecular weight of 208.23 g/mol, XLogP of -0.47, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(tetrazol-1-yl)pentyl]tetrazole is sourced from PubChem (CID 102182711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).