3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine

C6H9FN4 — CID 154685461

IUPAC3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine
SMILESNC1(c2cn[nH]n2)CC(F)C1
InChIInChI=1S/C6H9FN4/c7-4-1-6(8,2-4)5-3-9-11-10-5/h3-4H,1-2,8H2,(H,9,10,11)
InChIKeySZPTXWWHBWUHDL-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.09
Rot. Bonds1

About 3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine

3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine (PubChem CID 154685461) has the molecular formula C6H9FN4 and a molecular weight of 156.16 g/mol. Its IUPAC name is 3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine
PubChem CID154685461
Molecular FormulaC6H9FN4
Molecular Weight156.16 g/mol
Exact Mass156.08
IUPAC Name3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine
SMILESNC1(c2cn[nH]n2)CC(F)C1
InChIInChI=1S/C6H9FN4/c7-4-1-6(8,2-4)5-3-9-11-10-5/h3-4H,1-2,8H2,(H,9,10,11)
InChIKeySZPTXWWHBWUHDL-UHFFFAOYSA-N
XLogP0.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine (CID 154685461) is 3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine is NC1(c2cn[nH]n2)CC(F)C1.
What is the InChIKey of 3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine?
The InChIKey is SZPTXWWHBWUHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4/c7-4-1-6(8,2-4)5-3-9-11-10-5/h3-4H,1-2,8H2,(H,9,10,11).
What are the key properties of 3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine?
3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine has a molecular weight of 156.16 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine is sourced from PubChem (CID 154685461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).