1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride

C8H17Cl2N5 — CID 54594853

IUPAC1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ncn(CCN2CCNCC2)n1
InChIInChI=1S/C8H15N5.2ClH/c1-3-12(4-2-9-1)5-6-13-8-10-7-11-13;;/h7-9H,1-6H2;2*1H
InChIKeyBIXQZMIVOASQBL-UHFFFAOYSA-N
MW254.16 g/mol
LogP0.03
Rot. Bonds3

About 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride

1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride (PubChem CID 54594853) has the molecular formula C8H17Cl2N5 and a molecular weight of 254.16 g/mol. Its IUPAC name is 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride
PubChem CID54594853
Molecular FormulaC8H17Cl2N5
Molecular Weight254.16 g/mol
Exact Mass253.09
IUPAC Name1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ncn(CCN2CCNCC2)n1
InChIInChI=1S/C8H15N5.2ClH/c1-3-12(4-2-9-1)5-6-13-8-10-7-11-13;;/h7-9H,1-6H2;2*1H
InChIKeyBIXQZMIVOASQBL-UHFFFAOYSA-N
XLogP0.03
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,2,4-triazol-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane;dihydrochloride
CID 119933288
1-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one
CID 130559424
4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride
CID 154920865
1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 51108536
1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine
CID 91441427
N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 119394078
1-[(4-methylsulfanylphenyl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 74235053
1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 120851131
1-(2-piperazin-1-ylethyl)pyrazol-4-ol
CID 82399492
N-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide
CID 91843778
2-bromo-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholine
CID 158067133
4-chloro-3-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 130559431

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride (CID 54594853) is 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride is Cl.Cl.c1ncn(CCN2CCNCC2)n1.
What is the InChIKey of 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride?
The InChIKey is BIXQZMIVOASQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5.2ClH/c1-3-12(4-2-9-1)5-6-13-8-10-7-11-13;;/h7-9H,1-6H2;2*1H.
What are the key properties of 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride?
1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride has a molecular weight of 254.16 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 54594853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).