1-[[2-(triazol-1-yl)phenyl]methyl]piperazine

C13H17N5 — CID 117360479

IUPAC1-[[2-(triazol-1-yl)phenyl]methyl]piperazine
SMILESc1ccc(-n2ccnn2)c(CN2CCNCC2)c1
InChIInChI=1S/C13H17N5/c1-2-4-13(18-10-7-15-16-18)12(3-1)11-17-8-5-14-6-9-17/h1-4,7,10,14H,5-6,8-9,11H2
InChIKeyJLSNNUXCCBNUKL-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.67
Rot. Bonds3

About 1-[[2-(triazol-1-yl)phenyl]methyl]piperazine

1-[[2-(triazol-1-yl)phenyl]methyl]piperazine (PubChem CID 117360479) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[[2-(triazol-1-yl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(triazol-1-yl)phenyl]methyl]piperazine
PubChem CID117360479
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-[[2-(triazol-1-yl)phenyl]methyl]piperazine
SMILESc1ccc(-n2ccnn2)c(CN2CCNCC2)c1
InChIInChI=1S/C13H17N5/c1-2-4-13(18-10-7-15-16-18)12(3-1)11-17-8-5-14-6-9-17/h1-4,7,10,14H,5-6,8-9,11H2
InChIKeyJLSNNUXCCBNUKL-UHFFFAOYSA-N
XLogP0.67
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(triazol-1-yl)phenyl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(triazol-1-yl)phenyl]methyl]piperidine
CID 117358240
1-[[3-(triazol-1-yl)phenyl]methyl]piperazine
CID 117360477
1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine
CID 117394580
1-[2-(chloromethyl)phenyl]triazole
CID 140640955
O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine
CID 117281796
1-[[2-(triazol-1-yl)phenyl]methyl]cyclopropan-1-ol
CID 117306788
4-(piperazin-1-ylmethyl)triazolo[1,5-a]pyridine
CID 83887716
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine
CID 156786556
1-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471076
N-[2-(triazol-1-yl)phenyl]piperidin-4-amine
CID 54902595
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(triazol-1-yl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[2-(triazol-1-yl)phenyl]methyl]piperazine (CID 117360479) is 1-[[2-(triazol-1-yl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(triazol-1-yl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-(triazol-1-yl)phenyl]methyl]piperazine is c1ccc(-n2ccnn2)c(CN2CCNCC2)c1.
What is the InChIKey of 1-[[2-(triazol-1-yl)phenyl]methyl]piperazine?
The InChIKey is JLSNNUXCCBNUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-4-13(18-10-7-15-16-18)12(3-1)11-17-8-5-14-6-9-17/h1-4,7,10,14H,5-6,8-9,11H2.
What are the key properties of 1-[[2-(triazol-1-yl)phenyl]methyl]piperazine?
1-[[2-(triazol-1-yl)phenyl]methyl]piperazine has a molecular weight of 243.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(triazol-1-yl)phenyl]methyl]piperazine is sourced from PubChem (CID 117360479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).