1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone

C11H19N5O — CID 121208743

IUPAC1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1Cn1cc(CN)nn1
InChIInChI=1S/C11H19N5O/c1-9(17)16-5-3-2-4-11(16)8-15-7-10(6-12)13-14-15/h7,11H,2-6,8,12H2,1H3
InChIKeyVJPBBGHYRXWNTE-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.14
Rot. Bonds3

About 1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone

1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 121208743) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID121208743
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1Cn1cc(CN)nn1
InChIInChI=1S/C11H19N5O/c1-9(17)16-5-3-2-4-11(16)8-15-7-10(6-12)13-14-15/h7,11H,2-6,8,12H2,1H3
InChIKeyVJPBBGHYRXWNTE-UHFFFAOYSA-N
XLogP0.14
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[(2R)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanamine
CID 129496715
2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
CID 115459724
1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 129495083
(E)-1-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 167906141
2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 115459780
[1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol
CID 129493953
[1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine
CID 104690284
2-[4-(aminomethyl)triazol-1-yl]-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 115460124
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95351455
2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
CID 116599888
(2-chlorofuran-3-yl)-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 120949943
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
CID 115458891

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone (CID 121208743) is 1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCCC1Cn1cc(CN)nn1.
What is the InChIKey of 1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is VJPBBGHYRXWNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-9(17)16-5-3-2-4-11(16)8-15-7-10(6-12)13-14-15/h7,11H,2-6,8,12H2,1H3.
What are the key properties of 1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone?
1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 237.31 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 121208743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).