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

C17H31N5O — CID 91786341

IUPAC3-[4-ethyl-5-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN2CCC(CCOC)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C17H31N5O/c1-3-22-16(19-20-17(22)14-10-15(18)11-14)12-21-7-4-13(5-8-21)6-9-23-2/h13-15H,3-12,18H2,1-2H3
InChIKeyHUIGHVQOAGUEQK-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.75
Rot. Bonds7

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

3-[4-ethyl-5-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91786341) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is 3-[4-ethyl-5-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-ethyl-5-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91786341
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name3-[4-ethyl-5-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN2CCC(CCOC)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C17H31N5O/c1-3-22-16(19-20-17(22)14-10-15(18)11-14)12-21-7-4-13(5-8-21)6-9-23-2/h13-15H,3-12,18H2,1-2H3
InChIKeyHUIGHVQOAGUEQK-UHFFFAOYSA-N
XLogP1.75
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-5-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-ethyl-5-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91786341) is 3-[4-ethyl-5-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-ethyl-5-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-ethyl-5-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is CCn1c(CN2CCC(CCOC)CC2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[4-ethyl-5-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is HUIGHVQOAGUEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-3-22-16(19-20-17(22)14-10-15(18)11-14)12-21-7-4-13(5-8-21)6-9-23-2/h13-15H,3-12,18H2,1-2H3.
What are the key properties of 3-[4-ethyl-5-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-ethyl-5-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 321.47 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-5-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91786341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).