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

C10H19N5 — CID 83884650

IUPAC2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCC1CCN(c2n[nH]c(CCN)n2)CC1
InChIInChI=1S/C10H19N5/c1-8-3-6-15(7-4-8)10-12-9(2-5-11)13-14-10/h8H,2-7,11H2,1H3,(H,12,13,14)
InChIKeyNZNMCANCPQMDBP-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.54
Rot. Bonds3

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

2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine (PubChem CID 83884650) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine
PubChem CID83884650
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCC1CCN(c2n[nH]c(CCN)n2)CC1
InChIInChI=1S/C10H19N5/c1-8-3-6-15(7-4-8)10-12-9(2-5-11)13-14-10/h8H,2-7,11H2,1H3,(H,12,13,14)
InChIKeyNZNMCANCPQMDBP-UHFFFAOYSA-N
XLogP0.54
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine
CID 83891348
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800666
[1-(5-pentyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800741
[1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800743
[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102800344
4-methyl-1-[5-(thiophen-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 166235027
1-[1-(5-heptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799158
1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799212
1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine
CID 102793292
4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol
CID 102799088
[1-[5-(2-methylbutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800704
[1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800744

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine (CID 83884650) is 2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine is CC1CCN(c2n[nH]c(CCN)n2)CC1.
What is the InChIKey of 2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine?
The InChIKey is NZNMCANCPQMDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-8-3-6-15(7-4-8)10-12-9(2-5-11)13-14-10/h8H,2-7,11H2,1H3,(H,12,13,14).
What are the key properties of 2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine?
2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine has a molecular weight of 209.30 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine is sourced from PubChem (CID 83884650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).