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

C14H25N5O — CID 102799155

IUPAC1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(c2n[nH]c(C3CCCCO3)n2)CC1
InChIInChI=1S/C14H25N5O/c1-10(15)11-5-7-19(8-6-11)14-16-13(17-18-14)12-4-2-3-9-20-12/h10-12H,2-9,15H2,1H3,(H,16,17,18)
InChIKeyNAYQSHQJLADYKA-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.61
Rot. Bonds3

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

1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine (PubChem CID 102799155) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
PubChem CID102799155
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(c2n[nH]c(C3CCCCO3)n2)CC1
InChIInChI=1S/C14H25N5O/c1-10(15)11-5-7-19(8-6-11)14-16-13(17-18-14)12-4-2-3-9-20-12/h10-12H,2-9,15H2,1H3,(H,16,17,18)
InChIKeyNAYQSHQJLADYKA-UHFFFAOYSA-N
XLogP1.61
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine with MolForge

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Related Compounds

1-[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799146
1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]piperidine
CID 167829844
(3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797516
1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794159
(1R)-2-methyl-1-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine
CID 97288537
1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799212
1-[1-(5-heptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799158
1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799118
1-[1-[5-(4-iodophenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799263
1-[1-[5-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 103400511
3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol
CID 102799233
3-methylsulfanyl-5-(oxolan-2-yl)-1H-1,2,4-triazole
CID 130719874

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine (CID 102799155) is 1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine is CC(N)C1CCN(c2n[nH]c(C3CCCCO3)n2)CC1.
What is the InChIKey of 1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?
The InChIKey is NAYQSHQJLADYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-10(15)11-5-7-19(8-6-11)14-16-13(17-18-14)12-4-2-3-9-20-12/h10-12H,2-9,15H2,1H3,(H,16,17,18).
What are the key properties of 1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?
1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine has a molecular weight of 279.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 102799155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).