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

C14H20ClN5O — CID 106683946

IUPACN-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2n[nH]c(-c3ccc(Cl)o3)n2)CC1
InChIInChI=1S/C14H20ClN5O/c1-2-16-9-10-5-7-20(8-6-10)14-17-13(18-19-14)11-3-4-12(15)21-11/h3-4,10,16H,2,5-9H2,1H3,(H,17,18,19)
InChIKeyZZKZSRTXOUDXFG-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.54
Rot. Bonds5

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

N-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine (PubChem CID 106683946) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
PubChem CID106683946
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC NameN-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2n[nH]c(-c3ccc(Cl)o3)n2)CC1
InChIInChI=1S/C14H20ClN5O/c1-2-16-9-10-5-7-20(8-6-10)14-17-13(18-19-14)11-3-4-12(15)21-11/h3-4,10,16H,2,5-9H2,1H3,(H,17,18,19)
InChIKeyZZKZSRTXOUDXFG-UHFFFAOYSA-N
XLogP2.54
TPSA69.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
CID 102799318
1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 106683927
N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
CID 102799345
[1-[5-(5-ethylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800681
N-[[1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
CID 107960297
N-[[1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
CID 102799372
N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
CID 102799312
1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793344
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 106683930
N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800136
N-methyl-1-[1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800069

Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine (CID 106683946) is N-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(c2n[nH]c(-c3ccc(Cl)o3)n2)CC1.
What is the InChIKey of N-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is ZZKZSRTXOUDXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-2-16-9-10-5-7-20(8-6-10)14-17-13(18-19-14)11-3-4-12(15)21-11/h3-4,10,16H,2,5-9H2,1H3,(H,17,18,19).
What are the key properties of N-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 309.80 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 106683946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).