piperazine;2H-triazole;hydrochloride

C6H14ClN5 — CID 174565766

IUPACpiperazine;2H-triazole;hydrochloride
SMILESC1CNCCN1.Cl.c1cn[nH]n1
InChIInChI=1S/C4H10N2.C2H3N3.ClH/c1-2-6-4-3-5-1;1-2-4-5-3-1;/h5-6H,1-4H2;1-2H,(H,3,4,5);1H
InChIKeyDSEVOLNKLMOZRQ-UHFFFAOYSA-N
MW191.67 g/mol
LogP-0.59
Rot. Bonds

About piperazine;2H-triazole;hydrochloride

piperazine;2H-triazole;hydrochloride (PubChem CID 174565766) has the molecular formula C6H14ClN5 and a molecular weight of 191.67 g/mol. Its IUPAC name is piperazine;2H-triazole;hydrochloride.

Molecular Properties

Compound Namepiperazine;2H-triazole;hydrochloride
PubChem CID174565766
Molecular FormulaC6H14ClN5
Molecular Weight191.67 g/mol
Exact Mass191.09
IUPAC Namepiperazine;2H-triazole;hydrochloride
SMILESC1CNCCN1.Cl.c1cn[nH]n1
InChIInChI=1S/C4H10N2.C2H3N3.ClH/c1-2-6-4-3-5-1;1-2-4-5-3-1;/h5-6H,1-4H2;1-2H,(H,3,4,5);1H
InChIKeyDSEVOLNKLMOZRQ-UHFFFAOYSA-N
XLogP-0.59
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.67
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazine;2H-triazole;hydrochloride?
The IUPAC name of piperazine;2H-triazole;hydrochloride (CID 174565766) is piperazine;2H-triazole;hydrochloride.
What is the SMILES notation for piperazine;2H-triazole;hydrochloride?
The canonical SMILES for piperazine;2H-triazole;hydrochloride is C1CNCCN1.Cl.c1cn[nH]n1.
What is the InChIKey of piperazine;2H-triazole;hydrochloride?
The InChIKey is DSEVOLNKLMOZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2H3N3.ClH/c1-2-6-4-3-5-1;1-2-4-5-3-1;/h5-6H,1-4H2;1-2H,(H,3,4,5);1H.
What are the key properties of piperazine;2H-triazole;hydrochloride?
piperazine;2H-triazole;hydrochloride has a molecular weight of 191.67 g/mol, XLogP of -0.59, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;2H-triazole;hydrochloride is sourced from PubChem (CID 174565766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).