2-(3-fluoropropyl)-5-methyltetrazole

C5H9FN4 — CID 20644903

IUPAC2-(3-fluoropropyl)-5-methyltetrazole
SMILESCc1nnn(CCCF)n1
InChIInChI=1S/C5H9FN4/c1-5-7-9-10(8-5)4-2-3-6/h2-4H2,1H3
InChIKeyQSUWTKHKZZZUEH-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.34
Rot. Bonds3

About 2-(3-fluoropropyl)-5-methyltetrazole

2-(3-fluoropropyl)-5-methyltetrazole (PubChem CID 20644903) has the molecular formula C5H9FN4 and a molecular weight of 144.15 g/mol. Its IUPAC name is 2-(3-fluoropropyl)-5-methyltetrazole.

Molecular Properties

Compound Name2-(3-fluoropropyl)-5-methyltetrazole
PubChem CID20644903
Molecular FormulaC5H9FN4
Molecular Weight144.15 g/mol
Exact Mass144.08
IUPAC Name2-(3-fluoropropyl)-5-methyltetrazole
SMILESCc1nnn(CCCF)n1
InChIInChI=1S/C5H9FN4/c1-5-7-9-10(8-5)4-2-3-6/h2-4H2,1H3
InChIKeyQSUWTKHKZZZUEH-UHFFFAOYSA-N
XLogP0.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropyl)-5-methyltetrazole?
The IUPAC name of 2-(3-fluoropropyl)-5-methyltetrazole (CID 20644903) is 2-(3-fluoropropyl)-5-methyltetrazole.
What is the SMILES notation for 2-(3-fluoropropyl)-5-methyltetrazole?
The canonical SMILES for 2-(3-fluoropropyl)-5-methyltetrazole is Cc1nnn(CCCF)n1.
What is the InChIKey of 2-(3-fluoropropyl)-5-methyltetrazole?
The InChIKey is QSUWTKHKZZZUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN4/c1-5-7-9-10(8-5)4-2-3-6/h2-4H2,1H3.
What are the key properties of 2-(3-fluoropropyl)-5-methyltetrazole?
2-(3-fluoropropyl)-5-methyltetrazole has a molecular weight of 144.15 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)-5-methyltetrazole is sourced from PubChem (CID 20644903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).