4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine

C16H26N6O — CID 72863312

IUPAC4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine
SMILESCCn1c(Cn2cccn2)nnc1C1CCN(CCOC)CC1
InChIInChI=1S/C16H26N6O/c1-3-22-15(13-21-8-4-7-17-21)18-19-16(22)14-5-9-20(10-6-14)11-12-23-2/h4,7-8,14H,3,5-6,9-13H2,1-2H3
InChIKeyKZGKQAQHQGHKAL-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.37
Rot. Bonds7

About 4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine

4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine (PubChem CID 72863312) has the molecular formula C16H26N6O and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine.

Molecular Properties

Compound Name4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine
PubChem CID72863312
Molecular FormulaC16H26N6O
Molecular Weight318.42 g/mol
Exact Mass318.22
IUPAC Name4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine
SMILESCCn1c(Cn2cccn2)nnc1C1CCN(CCOC)CC1
InChIInChI=1S/C16H26N6O/c1-3-22-15(13-21-8-4-7-17-21)18-19-16(22)14-5-9-20(10-6-14)11-12-23-2/h4,7-8,14H,3,5-6,9-13H2,1-2H3
InChIKeyKZGKQAQHQGHKAL-UHFFFAOYSA-N
XLogP1.37
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine?
The IUPAC name of 4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine (CID 72863312) is 4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine.
What is the SMILES notation for 4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine?
The canonical SMILES for 4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine is CCn1c(Cn2cccn2)nnc1C1CCN(CCOC)CC1.
What is the InChIKey of 4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine?
The InChIKey is KZGKQAQHQGHKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-3-22-15(13-21-8-4-7-17-21)18-19-16(22)14-5-9-20(10-6-14)11-12-23-2/h4,7-8,14H,3,5-6,9-13H2,1-2H3.
What are the key properties of 4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine?
4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine has a molecular weight of 318.42 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine is sourced from PubChem (CID 72863312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).