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

C12H23N5 — CID 102799345

IUPACN-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2n[nH]c(CC)n2)CC1
InChIInChI=1S/C12H23N5/c1-3-11-14-12(16-15-11)17-7-5-10(6-8-17)9-13-4-2/h10,13H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyDGEUBKYKIBFUFJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.19
Rot. Bonds5

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

N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine (PubChem CID 102799345) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
PubChem CID102799345
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2n[nH]c(CC)n2)CC1
InChIInChI=1S/C12H23N5/c1-3-11-14-12(16-15-11)17-7-5-10(6-8-17)9-13-4-2/h10,13H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyDGEUBKYKIBFUFJ-UHFFFAOYSA-N
XLogP1.19
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine (CID 102799345) is N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(c2n[nH]c(CC)n2)CC1.
What is the InChIKey of N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is DGEUBKYKIBFUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-11-14-12(16-15-11)17-7-5-10(6-8-17)9-13-4-2/h10,13H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 102799345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).