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

C15H27N5O — CID 91797790

IUPAC3-[5-[(4-ethoxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCOC1CCN(Cc2nnc(C3CC(N)C3)n2C)CC1
InChIInChI=1S/C15H27N5O/c1-3-21-13-4-6-20(7-5-13)10-14-17-18-15(19(14)2)11-8-12(16)9-11/h11-13H,3-10,16H2,1-2H3
InChIKeyABYPMTYCJBTXEO-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.02
Rot. Bonds5

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

3-[5-[(4-ethoxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91797790) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[5-[(4-ethoxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-[(4-ethoxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91797790
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name3-[5-[(4-ethoxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCOC1CCN(Cc2nnc(C3CC(N)C3)n2C)CC1
InChIInChI=1S/C15H27N5O/c1-3-21-13-4-6-20(7-5-13)10-14-17-18-15(19(14)2)11-8-12(16)9-11/h11-13H,3-10,16H2,1-2H3
InChIKeyABYPMTYCJBTXEO-UHFFFAOYSA-N
XLogP1.02
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-ethoxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-[(4-ethoxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91797790) is 3-[5-[(4-ethoxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-[(4-ethoxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-[(4-ethoxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine is CCOC1CCN(Cc2nnc(C3CC(N)C3)n2C)CC1.
What is the InChIKey of 3-[5-[(4-ethoxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is ABYPMTYCJBTXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-21-13-4-6-20(7-5-13)10-14-17-18-15(19(14)2)11-8-12(16)9-11/h11-13H,3-10,16H2,1-2H3.
What are the key properties of 3-[5-[(4-ethoxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[5-[(4-ethoxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-ethoxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91797790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).