3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine

C9H17N5O — CID 66276875

IUPAC3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCCOC1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C9H17N5O/c1-2-15-7-3-5-14(6-4-7)9-11-8(10)12-13-9/h7H,2-6H2,1H3,(H3,10,11,12,13)
InChIKeyTZRZBHKPICNROV-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.39
Rot. Bonds3

About 3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine

3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 66276875) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine
PubChem CID66276875
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCCOC1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C9H17N5O/c1-2-15-7-3-5-14(6-4-7)9-11-8(10)12-13-9/h7H,2-6H2,1H3,(H3,10,11,12,13)
InChIKeyTZRZBHKPICNROV-UHFFFAOYSA-N
XLogP0.39
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine (CID 66276875) is 3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine is CCOC1CCN(c2n[nH]c(N)n2)CC1.
What is the InChIKey of 3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is TZRZBHKPICNROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-2-15-7-3-5-14(6-4-7)9-11-8(10)12-13-9/h7H,2-6H2,1H3,(H3,10,11,12,13).
What are the key properties of 3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 211.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 66276875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).