3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine

C15H21N5O — CID 102798424

IUPAC3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCC1CN(c2n[nH]c(CCOc3ccccc3)n2)CCN1
InChIInChI=1S/C15H21N5O/c1-12-11-20(9-8-16-12)15-17-14(18-19-15)7-10-21-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,17,18,19)
InChIKeyLMPHYMCZEDFWGC-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.22
Rot. Bonds5

About 3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine

3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102798424) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102798424
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCC1CN(c2n[nH]c(CCOc3ccccc3)n2)CCN1
InChIInChI=1S/C15H21N5O/c1-12-11-20(9-8-16-12)15-17-14(18-19-15)7-10-21-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,17,18,19)
InChIKeyLMPHYMCZEDFWGC-UHFFFAOYSA-N
XLogP1.22
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797735
(3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797603
(3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797580
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 103207019
(3S)-1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797858
(3S)-1-(5-heptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797944
(3R)-1-(5-heptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797599
3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798267
1-[5-(2-cyclohexylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798194
(3S)-1-[5-(2-cyclohexylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797846
(3S)-1-[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797847
1-[5-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793046

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine (CID 102798424) is 3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine is CC1CN(c2n[nH]c(CCOc3ccccc3)n2)CCN1.
What is the InChIKey of 3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is LMPHYMCZEDFWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-11-20(9-8-16-12)15-17-14(18-19-15)7-10-21-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,17,18,19).
What are the key properties of 3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine?
3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 287.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102798424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).