4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine

C11H20N4 — CID 63124173

IUPAC4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine
SMILESCCc1nc(C2(C)CCNCC2)n(C)n1
InChIInChI=1S/C11H20N4/c1-4-9-13-10(15(3)14-9)11(2)5-7-12-8-6-11/h12H,4-8H2,1-3H3
InChIKeyLIIOXBQEDVSFLI-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.02
Rot. Bonds2

About 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine

4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine (PubChem CID 63124173) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine.

Molecular Properties

Compound Name4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine
PubChem CID63124173
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine
SMILESCCc1nc(C2(C)CCNCC2)n(C)n1
InChIInChI=1S/C11H20N4/c1-4-9-13-10(15(3)14-9)11(2)5-7-12-8-6-11/h12H,4-8H2,1-3H3
InChIKeyLIIOXBQEDVSFLI-UHFFFAOYSA-N
XLogP1.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine?
The IUPAC name of 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine (CID 63124173) is 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine.
What is the SMILES notation for 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine?
The canonical SMILES for 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine is CCc1nc(C2(C)CCNCC2)n(C)n1.
What is the InChIKey of 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine?
The InChIKey is LIIOXBQEDVSFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-9-13-10(15(3)14-9)11(2)5-7-12-8-6-11/h12H,4-8H2,1-3H3.
What are the key properties of 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine?
4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine has a molecular weight of 208.31 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine is sourced from PubChem (CID 63124173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).