2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine

C12H23N5 — CID 141313034

IUPAC2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine
SMILESCCC1CC(Nc2ncn(C)n2)CC(CC)N1
InChIInChI=1S/C12H23N5/c1-4-9-6-11(7-10(5-2)14-9)15-12-13-8-17(3)16-12/h8-11,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyUXUYLXPCEUVVJV-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.54
Rot. Bonds4

About 2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine

2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine (PubChem CID 141313034) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine
PubChem CID141313034
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine
SMILESCCC1CC(Nc2ncn(C)n2)CC(CC)N1
InChIInChI=1S/C12H23N5/c1-4-9-6-11(7-10(5-2)14-9)15-12-13-8-17(3)16-12/h8-11,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyUXUYLXPCEUVVJV-UHFFFAOYSA-N
XLogP1.54
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine?
The IUPAC name of 2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine (CID 141313034) is 2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine.
What is the SMILES notation for 2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine?
The canonical SMILES for 2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine is CCC1CC(Nc2ncn(C)n2)CC(CC)N1.
What is the InChIKey of 2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine?
The InChIKey is UXUYLXPCEUVVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-4-9-6-11(7-10(5-2)14-9)15-12-13-8-17(3)16-12/h8-11,14H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine?
2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N-(1-methyl-1,2,4-triazol-3-yl)piperidin-4-amine is sourced from PubChem (CID 141313034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).