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

C11H21N5 — CID 66276682

IUPAC3-(4,4-diethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCCC1(CC)CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C11H21N5/c1-3-11(4-2)5-7-16(8-6-11)10-13-9(12)14-15-10/h3-8H2,1-2H3,(H3,12,13,14,15)
InChIKeyUDXAIYSDXJHDHQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.79
Rot. Bonds3

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

3-(4,4-diethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 66276682) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(4,4-diethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(4,4-diethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
PubChem CID66276682
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name3-(4,4-diethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCCC1(CC)CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C11H21N5/c1-3-11(4-2)5-7-16(8-6-11)10-13-9(12)14-15-10/h3-8H2,1-2H3,(H3,12,13,14,15)
InChIKeyUDXAIYSDXJHDHQ-UHFFFAOYSA-N
XLogP1.79
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-diethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(4,4-diethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine (CID 66276682) is 3-(4,4-diethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(4,4-diethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(4,4-diethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine is CCC1(CC)CCN(c2n[nH]c(N)n2)CC1.
What is the InChIKey of 3-(4,4-diethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is UDXAIYSDXJHDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-3-11(4-2)5-7-16(8-6-11)10-13-9(12)14-15-10/h3-8H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 3-(4,4-diethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
3-(4,4-diethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 223.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-diethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 66276682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).