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

C11H20N4 — CID 106780163

IUPAC5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine
SMILESCCn1ncnc1CC1CCC(C)NC1
InChIInChI=1S/C11H20N4/c1-3-15-11(13-8-14-15)6-10-5-4-9(2)12-7-10/h8-10,12H,3-7H2,1-2H3
InChIKeySVKJKFIGIHFRKN-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.23
Rot. Bonds3

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

5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine (PubChem CID 106780163) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine
PubChem CID106780163
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine
SMILESCCn1ncnc1CC1CCC(C)NC1
InChIInChI=1S/C11H20N4/c1-3-15-11(13-8-14-15)6-10-5-4-9(2)12-7-10/h8-10,12H,3-7H2,1-2H3
InChIKeySVKJKFIGIHFRKN-UHFFFAOYSA-N
XLogP1.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine?
The IUPAC name of 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine (CID 106780163) is 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine.
What is the SMILES notation for 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine?
The canonical SMILES for 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine is CCn1ncnc1CC1CCC(C)NC1.
What is the InChIKey of 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine?
The InChIKey is SVKJKFIGIHFRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-15-11(13-8-14-15)6-10-5-4-9(2)12-7-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine?
5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine has a molecular weight of 208.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine is sourced from PubChem (CID 106780163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).