1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine

C15H25N7O — CID 128994865

IUPAC1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
SMILESCCc1nnc(CN2CCCCC2c2n[nH]c(COC)n2)n1C
InChIInChI=1S/C15H25N7O/c1-4-13-18-19-14(21(13)2)9-22-8-6-5-7-11(22)15-16-12(10-23-3)17-20-15/h11H,4-10H2,1-3H3,(H,16,17,20)
InChIKeyIVFZVRZTKOIZNO-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.37
Rot. Bonds6

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

1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine (PubChem CID 128994865) has the molecular formula C15H25N7O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
PubChem CID128994865
Molecular FormulaC15H25N7O
Molecular Weight319.41 g/mol
Exact Mass319.21
IUPAC Name1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
SMILESCCc1nnc(CN2CCCCC2c2n[nH]c(COC)n2)n1C
InChIInChI=1S/C15H25N7O/c1-4-13-18-19-14(21(13)2)9-22-8-6-5-7-11(22)15-16-12(10-23-3)17-20-15/h11H,4-10H2,1-3H3,(H,16,17,20)
InChIKeyIVFZVRZTKOIZNO-UHFFFAOYSA-N
XLogP1.37
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine (CID 128994865) is 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine is CCc1nnc(CN2CCCCC2c2n[nH]c(COC)n2)n1C.
What is the InChIKey of 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine?
The InChIKey is IVFZVRZTKOIZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O/c1-4-13-18-19-14(21(13)2)9-22-8-6-5-7-11(22)15-16-12(10-23-3)17-20-15/h11H,4-10H2,1-3H3,(H,16,17,20).
What are the key properties of 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine?
1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine has a molecular weight of 319.41 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 128994865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).