1-[4-(tetrazol-1-yl)butyl]tetrazole

C6H10N8 — CID 15533013

IUPAC1-[4-(tetrazol-1-yl)butyl]tetrazole
SMILESc1nnnn1CCCCn1cnnn1
InChIInChI=1S/C6H10N8/c1(3-13-5-7-9-11-13)2-4-14-6-8-10-12-14/h5-6H,1-4H2
InChIKeyUMBKJMQYBSUNOD-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.86
Rot. Bonds5

About 1-[4-(tetrazol-1-yl)butyl]tetrazole

1-[4-(tetrazol-1-yl)butyl]tetrazole (PubChem CID 15533013) has the molecular formula C6H10N8 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-[4-(tetrazol-1-yl)butyl]tetrazole.

Molecular Properties

Compound Name1-[4-(tetrazol-1-yl)butyl]tetrazole
PubChem CID15533013
Molecular FormulaC6H10N8
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name1-[4-(tetrazol-1-yl)butyl]tetrazole
SMILESc1nnnn1CCCCn1cnnn1
InChIInChI=1S/C6H10N8/c1(3-13-5-7-9-11-13)2-4-14-6-8-10-12-14/h5-6H,1-4H2
InChIKeyUMBKJMQYBSUNOD-UHFFFAOYSA-N
XLogP-0.86
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.86
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-[4-(tetrazol-1-yl)butyl]tetrazole?
The IUPAC name of 1-[4-(tetrazol-1-yl)butyl]tetrazole (CID 15533013) is 1-[4-(tetrazol-1-yl)butyl]tetrazole.
What is the SMILES notation for 1-[4-(tetrazol-1-yl)butyl]tetrazole?
The canonical SMILES for 1-[4-(tetrazol-1-yl)butyl]tetrazole is c1nnnn1CCCCn1cnnn1.
What is the InChIKey of 1-[4-(tetrazol-1-yl)butyl]tetrazole?
The InChIKey is UMBKJMQYBSUNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N8/c1(3-13-5-7-9-11-13)2-4-14-6-8-10-12-14/h5-6H,1-4H2.
What are the key properties of 1-[4-(tetrazol-1-yl)butyl]tetrazole?
1-[4-(tetrazol-1-yl)butyl]tetrazole has a molecular weight of 194.20 g/mol, XLogP of -0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tetrazol-1-yl)butyl]tetrazole is sourced from PubChem (CID 15533013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).