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

C7H11FN4 — CID 142576539

IUPAC3-fluoro-3-methyl-1-(2H-triazol-4-yl)cyclobutan-1-amine
SMILESCC1(F)CC(N)(c2cn[nH]n2)C1
InChIInChI=1S/C7H11FN4/c1-6(8)3-7(9,4-6)5-2-10-12-11-5/h2H,3-4,9H2,1H3,(H,10,11,12)
InChIKeyWHXOKZGQQGYSTQ-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.48
Rot. Bonds1

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

3-fluoro-3-methyl-1-(2H-triazol-4-yl)cyclobutan-1-amine (PubChem CID 142576539) has the molecular formula C7H11FN4 and a molecular weight of 170.19 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-(2H-triazol-4-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-(2H-triazol-4-yl)cyclobutan-1-amine
PubChem CID142576539
Molecular FormulaC7H11FN4
Molecular Weight170.19 g/mol
Exact Mass170.10
IUPAC Name3-fluoro-3-methyl-1-(2H-triazol-4-yl)cyclobutan-1-amine
SMILESCC1(F)CC(N)(c2cn[nH]n2)C1
InChIInChI=1S/C7H11FN4/c1-6(8)3-7(9,4-6)5-2-10-12-11-5/h2H,3-4,9H2,1H3,(H,10,11,12)
InChIKeyWHXOKZGQQGYSTQ-UHFFFAOYSA-N
XLogP0.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-(2H-triazol-4-yl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-methyl-1-(2H-triazol-4-yl)cyclobutan-1-amine (CID 142576539) is 3-fluoro-3-methyl-1-(2H-triazol-4-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-methyl-1-(2H-triazol-4-yl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-methyl-1-(2H-triazol-4-yl)cyclobutan-1-amine is CC1(F)CC(N)(c2cn[nH]n2)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-(2H-triazol-4-yl)cyclobutan-1-amine?
The InChIKey is WHXOKZGQQGYSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4/c1-6(8)3-7(9,4-6)5-2-10-12-11-5/h2H,3-4,9H2,1H3,(H,10,11,12).
What are the key properties of 3-fluoro-3-methyl-1-(2H-triazol-4-yl)cyclobutan-1-amine?
3-fluoro-3-methyl-1-(2H-triazol-4-yl)cyclobutan-1-amine has a molecular weight of 170.19 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-(2H-triazol-4-yl)cyclobutan-1-amine is sourced from PubChem (CID 142576539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).