5-fluoro-1-pentyltetrazole

C6H11FN4 — CID 69030975

IUPAC5-fluoro-1-pentyltetrazole
SMILESCCCCCn1nnnc1F
InChIInChI=1S/C6H11FN4/c1-2-3-4-5-11-6(7)8-9-10-11/h2-5H2,1H3
InChIKeyUTDRCXFKQGJLMZ-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.00
Rot. Bonds4

About 5-fluoro-1-pentyltetrazole

5-fluoro-1-pentyltetrazole (PubChem CID 69030975) has the molecular formula C6H11FN4 and a molecular weight of 158.18 g/mol. Its IUPAC name is 5-fluoro-1-pentyltetrazole.

Molecular Properties

Compound Name5-fluoro-1-pentyltetrazole
PubChem CID69030975
Molecular FormulaC6H11FN4
Molecular Weight158.18 g/mol
Exact Mass158.10
IUPAC Name5-fluoro-1-pentyltetrazole
SMILESCCCCCn1nnnc1F
InChIInChI=1S/C6H11FN4/c1-2-3-4-5-11-6(7)8-9-10-11/h2-5H2,1H3
InChIKeyUTDRCXFKQGJLMZ-UHFFFAOYSA-N
XLogP1.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-fluoro-1-pentyltetrazole?
The IUPAC name of 5-fluoro-1-pentyltetrazole (CID 69030975) is 5-fluoro-1-pentyltetrazole.
What is the SMILES notation for 5-fluoro-1-pentyltetrazole?
The canonical SMILES for 5-fluoro-1-pentyltetrazole is CCCCCn1nnnc1F.
What is the InChIKey of 5-fluoro-1-pentyltetrazole?
The InChIKey is UTDRCXFKQGJLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4/c1-2-3-4-5-11-6(7)8-9-10-11/h2-5H2,1H3.
What are the key properties of 5-fluoro-1-pentyltetrazole?
5-fluoro-1-pentyltetrazole has a molecular weight of 158.18 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-pentyltetrazole is sourced from PubChem (CID 69030975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).