3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine

C10H18N4O — CID 56760817

IUPAC3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine
SMILESCOCCc1nc(C2CCCNC2)n[nH]1
InChIInChI=1S/C10H18N4O/c1-15-6-4-9-12-10(14-13-9)8-3-2-5-11-7-8/h8,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyXZAGEHREHBTAFQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.46
Rot. Bonds4

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

3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine (PubChem CID 56760817) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine
PubChem CID56760817
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine
SMILESCOCCc1nc(C2CCCNC2)n[nH]1
InChIInChI=1S/C10H18N4O/c1-15-6-4-9-12-10(14-13-9)8-3-2-5-11-7-8/h8,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyXZAGEHREHBTAFQ-UHFFFAOYSA-N
XLogP0.46
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine (CID 56760817) is 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine is COCCc1nc(C2CCCNC2)n[nH]1.
What is the InChIKey of 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine?
The InChIKey is XZAGEHREHBTAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-15-6-4-9-12-10(14-13-9)8-3-2-5-11-7-8/h8,11H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine?
3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine has a molecular weight of 210.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 56760817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).