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

C13H26N6 — CID 102799212

IUPAC1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(c2n[nH]c(CCN(C)C)n2)CC1
InChIInChI=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)
InChIKeySGRFNCLQPDXMHI-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.47
Rot. Bonds5

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 Name1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
PubChem CID102799212
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(c2n[nH]c(CCN(C)C)n2)CC1
InChIInChI=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)
InChIKeySGRFNCLQPDXMHI-UHFFFAOYSA-N
XLogP0.47
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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).