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

C14H20N6 — CID 102797580

IUPAC(3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESC[C@@H]1CN(c2n[nH]c(CCc3ccccn3)n2)CCN1
InChIInChI=1S/C14H20N6/c1-11-10-20(9-8-15-11)14-17-13(18-19-14)6-5-12-4-2-3-7-16-12/h2-4,7,11,15H,5-6,8-10H2,1H3,(H,17,18,19)/t11-/m1/s1
InChIKeyDULVJLHECGXODZ-LLVKDONJSA-N
MW272.36 g/mol
LogP0.78
Rot. Bonds4

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

(3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102797580) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is (3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102797580
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name(3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESC[C@@H]1CN(c2n[nH]c(CCc3ccccn3)n2)CCN1
InChIInChI=1S/C14H20N6/c1-11-10-20(9-8-15-11)14-17-13(18-19-14)6-5-12-4-2-3-7-16-12/h2-4,7,11,15H,5-6,8-10H2,1H3,(H,17,18,19)/t11-/m1/s1
InChIKeyDULVJLHECGXODZ-LLVKDONJSA-N
XLogP0.78
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797272
(3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797603
1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane
CID 102796958
(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
1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794233
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of (3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine (CID 102797580) is (3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for (3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for (3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine is C[C@@H]1CN(c2n[nH]c(CCc3ccccn3)n2)CCN1.
What is the InChIKey of (3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is DULVJLHECGXODZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N6/c1-11-10-20(9-8-15-11)14-17-13(18-19-14)6-5-12-4-2-3-7-16-12/h2-4,7,11,15H,5-6,8-10H2,1H3,(H,17,18,19)/t11-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine?
(3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 272.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102797580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).