1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine

C13H25N5 — CID 54895608

IUPAC1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCN1CCCC(C(C)NCc2nncn2C)C1
InChIInChI=1S/C13H25N5/c1-4-18-7-5-6-12(9-18)11(2)14-8-13-16-15-10-17(13)3/h10-12,14H,4-9H2,1-3H3
InChIKeySWBSJMLBNCGSLC-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.03
Rot. Bonds5

About 1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine

1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 54895608) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID54895608
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCN1CCCC(C(C)NCc2nncn2C)C1
InChIInChI=1S/C13H25N5/c1-4-18-7-5-6-12(9-18)11(2)14-8-13-16-15-10-17(13)3/h10-12,14H,4-9H2,1-3H3
InChIKeySWBSJMLBNCGSLC-UHFFFAOYSA-N
XLogP1.03
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 54895608) is 1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is CCN1CCCC(C(C)NCc2nncn2C)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is SWBSJMLBNCGSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-18-7-5-6-12(9-18)11(2)14-8-13-16-15-10-17(13)3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 251.38 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 54895608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).