2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone

C10H17N5O2 — CID 54901528

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESNc1ncn(CC(=O)N2CCCC(CO)C2)n1
InChIInChI=1S/C10H17N5O2/c11-10-12-7-15(13-10)5-9(17)14-3-1-2-8(4-14)6-16/h7-8,16H,1-6H2,(H2,11,13)
InChIKeyFGLHDPVHLSSBDH-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.91
Rot. Bonds3

About 2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone

2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 54901528) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID54901528
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESNc1ncn(CC(=O)N2CCCC(CO)C2)n1
InChIInChI=1S/C10H17N5O2/c11-10-12-7-15(13-10)5-9(17)14-3-1-2-8(4-14)6-16/h7-8,16H,1-6H2,(H2,11,13)
InChIKeyFGLHDPVHLSSBDH-UHFFFAOYSA-N
XLogP-0.91
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43590005
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone
CID 113335471
2-(3-amino-1,2,4-triazol-1-yl)-1-(3-propoxypiperidin-1-yl)ethanone
CID 61171706
2-(3-amino-1,2,4-triazol-1-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 107210992
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289739
2-(3-amino-1,2,4-triazol-1-yl)-1-(2-ethyl-1,4-oxazepan-4-yl)ethanone
CID 114218228
2-(3-amino-1,2,4-triazol-1-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66394190
2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62935640
2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107209661
2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 106203636
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
N-[1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112531833

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone (CID 54901528) is 2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone is Nc1ncn(CC(=O)N2CCCC(CO)C2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is FGLHDPVHLSSBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-10-12-7-15(13-10)5-9(17)14-3-1-2-8(4-14)6-16/h7-8,16H,1-6H2,(H2,11,13).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 239.28 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 54901528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).