3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride

C6H9ClF2N4 — CID 134285157

IUPAC3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2cn[nH]n2)CC(F)(F)C1
InChIInChI=1S/C6H8F2N4.ClH/c7-6(8)2-5(9,3-6)4-1-10-12-11-4;/h1H,2-3,9H2,(H,10,11,12);1H
InChIKeyHMGQHGARSGWSCJ-UHFFFAOYSA-N
MW210.61 g/mol
LogP0.81
Rot. Bonds1

About 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride

3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride (PubChem CID 134285157) has the molecular formula C6H9ClF2N4 and a molecular weight of 210.61 g/mol. Its IUPAC name is 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride
PubChem CID134285157
Molecular FormulaC6H9ClF2N4
Molecular Weight210.61 g/mol
Exact Mass210.05
IUPAC Name3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2cn[nH]n2)CC(F)(F)C1
InChIInChI=1S/C6H8F2N4.ClH/c7-6(8)2-5(9,3-6)4-1-10-12-11-4;/h1H,2-3,9H2,(H,10,11,12);1H
InChIKeyHMGQHGARSGWSCJ-UHFFFAOYSA-N
XLogP0.81
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.61
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride (CID 134285157) is 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride is Cl.NC1(c2cn[nH]n2)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride?
The InChIKey is HMGQHGARSGWSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4.ClH/c7-6(8)2-5(9,3-6)4-1-10-12-11-4;/h1H,2-3,9H2,(H,10,11,12);1H.
What are the key properties of 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride?
3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride has a molecular weight of 210.61 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2H-triazol-4-yl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 134285157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).