piperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride

C7H13ClF3N5 — CID 174771610

IUPACpiperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride
SMILESC1CNCCN1.Cl.FC(F)(F)c1cn[nH]n1
InChIInChI=1S/C4H10N2.C3H2F3N3.ClH/c1-2-6-4-3-5-1;4-3(5,6)2-1-7-9-8-2;/h5-6H,1-4H2;1H,(H,7,8,9);1H
InChIKeyALMLWYWEBSFMCB-UHFFFAOYSA-N
MW259.66 g/mol
LogP0.42
Rot. Bonds

About piperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride

piperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride (PubChem CID 174771610) has the molecular formula C7H13ClF3N5 and a molecular weight of 259.66 g/mol. Its IUPAC name is piperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride.

Molecular Properties

Compound Namepiperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride
PubChem CID174771610
Molecular FormulaC7H13ClF3N5
Molecular Weight259.66 g/mol
Exact Mass259.08
IUPAC Namepiperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride
SMILESC1CNCCN1.Cl.FC(F)(F)c1cn[nH]n1
InChIInChI=1S/C4H10N2.C3H2F3N3.ClH/c1-2-6-4-3-5-1;4-3(5,6)2-1-7-9-8-2;/h5-6H,1-4H2;1H,(H,7,8,9);1H
InChIKeyALMLWYWEBSFMCB-UHFFFAOYSA-N
XLogP0.42
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride?
The IUPAC name of piperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride (CID 174771610) is piperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride.
What is the SMILES notation for piperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride?
The canonical SMILES for piperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride is C1CNCCN1.Cl.FC(F)(F)c1cn[nH]n1.
What is the InChIKey of piperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride?
The InChIKey is ALMLWYWEBSFMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C3H2F3N3.ClH/c1-2-6-4-3-5-1;4-3(5,6)2-1-7-9-8-2;/h5-6H,1-4H2;1H,(H,7,8,9);1H.
What are the key properties of piperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride?
piperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride has a molecular weight of 259.66 g/mol, XLogP of 0.42, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;4-(trifluoromethyl)-2H-triazole;hydrochloride is sourced from PubChem (CID 174771610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).