4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one

C17H28N6O2 — CID 56718322

IUPAC4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCN(Cc3nccn3CCOC)C2)nn(C)c1=O
InChIInChI=1S/C17H28N6O2/c1-4-23-16(19-20(2)17(23)24)14-6-5-8-21(12-14)13-15-18-7-9-22(15)10-11-25-3/h7,9,14H,4-6,8,10-13H2,1-3H3
InChIKeyIRNJUWSGTPBXCG-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.82
Rot. Bonds7

About 4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one

4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one (PubChem CID 56718322) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
PubChem CID56718322
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCN(Cc3nccn3CCOC)C2)nn(C)c1=O
InChIInChI=1S/C17H28N6O2/c1-4-23-16(19-20(2)17(23)24)14-6-5-8-21(12-14)13-15-18-7-9-22(15)10-11-25-3/h7,9,14H,4-6,8,10-13H2,1-3H3
InChIKeyIRNJUWSGTPBXCG-UHFFFAOYSA-N
XLogP0.82
TPSA70.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one (CID 56718322) is 4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one is CCn1c(C2CCCN(Cc3nccn3CCOC)C2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one?
The InChIKey is IRNJUWSGTPBXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-4-23-16(19-20(2)17(23)24)14-6-5-8-21(12-14)13-15-18-7-9-22(15)10-11-25-3/h7,9,14H,4-6,8,10-13H2,1-3H3.
What are the key properties of 4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one?
4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one has a molecular weight of 348.45 g/mol, XLogP of 0.82, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 56718322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).