(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine

C15H24N6 — CID 95336739

IUPAC(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine
SMILESCc1nc(C)n(C[C@H]2CCCCN2CCn2cccn2)n1
InChIInChI=1S/C15H24N6/c1-13-17-14(2)21(18-13)12-15-6-3-4-8-19(15)10-11-20-9-5-7-16-20/h5,7,9,15H,3-4,6,8,10-12H2,1-2H3/t15-/m1/s1
InChIKeyXIODGNGCYUJXRH-OAHLLOKOSA-N
MW288.40 g/mol
LogP1.65
Rot. Bonds5

About (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine

(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine (PubChem CID 95336739) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine.

Molecular Properties

Compound Name(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine
PubChem CID95336739
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine
SMILESCc1nc(C)n(C[C@H]2CCCCN2CCn2cccn2)n1
InChIInChI=1S/C15H24N6/c1-13-17-14(2)21(18-13)12-15-6-3-4-8-19(15)10-11-20-9-5-7-16-20/h5,7,9,15H,3-4,6,8,10-12H2,1-2H3/t15-/m1/s1
InChIKeyXIODGNGCYUJXRH-OAHLLOKOSA-N
XLogP1.65
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine?
The IUPAC name of (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine (CID 95336739) is (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine.
What is the SMILES notation for (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine?
The canonical SMILES for (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine is Cc1nc(C)n(C[C@H]2CCCCN2CCn2cccn2)n1.
What is the InChIKey of (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine?
The InChIKey is XIODGNGCYUJXRH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N6/c1-13-17-14(2)21(18-13)12-15-6-3-4-8-19(15)10-11-20-9-5-7-16-20/h5,7,9,15H,3-4,6,8,10-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine?
(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine has a molecular weight of 288.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidine is sourced from PubChem (CID 95336739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).