1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine

C13H20N6 — CID 56780654

IUPAC1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESc1cnn(CCN2CCCCC2Cn2cncn2)c1
InChIInChI=1S/C13H20N6/c1-2-6-17(8-9-18-7-3-5-15-18)13(4-1)10-19-12-14-11-16-19/h3,5,7,11-13H,1-2,4,6,8-10H2
InChIKeyRSASTYIMQXMJEB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.03
Rot. Bonds5

About 1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine

1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 56780654) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID56780654
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESc1cnn(CCN2CCCCC2Cn2cncn2)c1
InChIInChI=1S/C13H20N6/c1-2-6-17(8-9-18-7-3-5-15-18)13(4-1)10-19-12-14-11-16-19/h3,5,7,11-13H,1-2,4,6,8-10H2
InChIKeyRSASTYIMQXMJEB-UHFFFAOYSA-N
XLogP1.03
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine (CID 56780654) is 1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine is c1cnn(CCN2CCCCC2Cn2cncn2)c1.
What is the InChIKey of 1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is RSASTYIMQXMJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-2-6-17(8-9-18-7-3-5-15-18)13(4-1)10-19-12-14-11-16-19/h3,5,7,11-13H,1-2,4,6,8-10H2.
What are the key properties of 1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine?
1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 260.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 56780654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).