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

C15H21N5 — CID 102797603

IUPAC(3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESC[C@@H]1CN(c2n[nH]c(CCc3ccccc3)n2)CCN1
InChIInChI=1S/C15H21N5/c1-12-11-20(10-9-16-12)15-17-14(18-19-15)8-7-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,17,18,19)/t12-/m1/s1
InChIKeyIYVFUFCYNMOQFB-GFCCVEGCSA-N
MW271.37 g/mol
LogP1.39
Rot. Bonds4

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

(3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102797603) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is (3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102797603
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name(3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESC[C@@H]1CN(c2n[nH]c(CCc3ccccc3)n2)CCN1
InChIInChI=1S/C15H21N5/c1-12-11-20(10-9-16-12)15-17-14(18-19-15)8-7-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,17,18,19)/t12-/m1/s1
InChIKeyIYVFUFCYNMOQFB-GFCCVEGCSA-N
XLogP1.39
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]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

(3R)-3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797735
3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798424
(3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797580
3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798267
(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
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
1-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798395
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 103207019
1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102792807

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of (3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine (CID 102797603) is (3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for (3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for (3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine is C[C@@H]1CN(c2n[nH]c(CCc3ccccc3)n2)CCN1.
What is the InChIKey of (3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is IYVFUFCYNMOQFB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-11-20(10-9-16-12)15-17-14(18-19-15)8-7-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,17,18,19)/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine?
(3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 271.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102797603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).