3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine

C15H22N6 — CID 102797272

IUPAC3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCC1CN(c2n[nH]c(CCc3ccccn3)n2)CC(C)N1
InChIInChI=1S/C15H22N6/c1-11-9-21(10-12(2)17-11)15-18-14(19-20-15)7-6-13-5-3-4-8-16-13/h3-5,8,11-12,17H,6-7,9-10H2,1-2H3,(H,18,19,20)
InChIKeyRRRXUKCYDOEDOI-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.17
Rot. Bonds4

About 3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine

3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102797272) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102797272
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCC1CN(c2n[nH]c(CCc3ccccn3)n2)CC(C)N1
InChIInChI=1S/C15H22N6/c1-11-9-21(10-12(2)17-11)15-18-14(19-20-15)7-6-13-5-3-4-8-16-13/h3-5,8,11-12,17H,6-7,9-10H2,1-2H3,(H,18,19,20)
InChIKeyRRRXUKCYDOEDOI-UHFFFAOYSA-N
XLogP1.17
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797580
1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794233
1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane
CID 102796958
3,5-dimethyl-1-[5-[(2-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102797419
(3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797603
1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797241
3,5-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 103207029
3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798424
5-(3,5-dimethylpiperazin-1-yl)quinoline
CID 81217174
(3S)-1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797858
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124590097
1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797380

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine (CID 102797272) is 3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine is CC1CN(c2n[nH]c(CCc3ccccn3)n2)CC(C)N1.
What is the InChIKey of 3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is RRRXUKCYDOEDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-11-9-21(10-12(2)17-11)15-18-14(19-20-15)7-6-13-5-3-4-8-16-13/h3-5,8,11-12,17H,6-7,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine?
3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 286.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102797272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).