1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine

C13H26N6 — CID 102799212

About 1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine

1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine (PubChem CID 102799212) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine.

Molecular Properties

• Compound Name: 1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
• PubChem CID: 102799212
• Molecular Formula: C13H26N6
• Molecular Weight: 266.39 g/mol
• Exact Mass: 266.22
• IUPAC Name: 1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
• SMILES: CC(N)C1CCN(c2n[nH]c(CCN(C)C)n2)CC1
• InChI: InChI=1S/C13H26N6/c1-10(14)11-4-8-19(9-5-11)13-15-12(16-17-13)6-7-18(2)3/h10-11H,4-9,14H2,1-3H3,(H,15,16,17)
• InChIKey: SGRFNCLQPDXMHI-UHFFFAOYSA-N
• XLogP: 0.47
• TPSA: 74.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.39
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?

The IUPAC name of 1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine (CID 102799212) is 1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine.

What is the SMILES notation for 1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?

The canonical SMILES for 1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine is CC(N)C1CCN(c2n[nH]c(CCN(C)C)n2)CC1.

What is the InChIKey of 1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?

The InChIKey is SGRFNCLQPDXMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6/c1-10(14)11-4-8-19(9-5-11)13-15-12(16-17-13)6-7-18(2)3/h10-11H,4-9,14H2,1-3H3,(H,15,16,17).

What are the key properties of 1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?

1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 102799212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).