1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine

C13H17N5 — CID 175938497

IUPAC1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine
SMILESCN1CCN(c2cccc(-c3cn[nH]n3)c2)CC1
InChIInChI=1S/C13H17N5/c1-17-5-7-18(8-6-17)12-4-2-3-11(9-12)13-10-14-16-15-13/h2-4,9-10H,5-8H2,1H3,(H,14,15,16)
InChIKeyJKUYFOKFLLRIFD-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.22
Rot. Bonds2

About 1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine

1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine (PubChem CID 175938497) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine
PubChem CID175938497
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine
SMILESCN1CCN(c2cccc(-c3cn[nH]n3)c2)CC1
InChIInChI=1S/C13H17N5/c1-17-5-7-18(8-6-17)12-4-2-3-11(9-12)13-10-14-16-15-13/h2-4,9-10H,5-8H2,1H3,(H,14,15,16)
InChIKeyJKUYFOKFLLRIFD-UHFFFAOYSA-N
XLogP1.22
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 68700957
1-methyl-4-[3-(1-methylpyrazol-4-yl)phenyl]piperazine
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ethyl 5-[3-(4-methylpiperazin-1-yl)phenyl]-2H-triazole-4-carboxylate
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1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine
CID 153409891
1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine
CID 141166517
6-[3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 21404596
[3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol
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2-[3-(4-methylpiperazin-1-yl)phenyl]acetonitrile
CID 68945856
2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine (CID 175938497) is 1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine is CN1CCN(c2cccc(-c3cn[nH]n3)c2)CC1.
What is the InChIKey of 1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine?
The InChIKey is JKUYFOKFLLRIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-17-5-7-18(8-6-17)12-4-2-3-11(9-12)13-10-14-16-15-13/h2-4,9-10H,5-8H2,1H3,(H,14,15,16).
What are the key properties of 1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine?
1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine has a molecular weight of 243.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine is sourced from PubChem (CID 175938497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).