3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one

C9H16N4O2 — CID 136768295

IUPAC3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC1CCN(Cc2n[nH]c(=O)[nH]2)CC1O
InChIInChI=1S/C9H16N4O2/c1-6-2-3-13(4-7(6)14)5-8-10-9(15)12-11-8/h6-7,14H,2-5H2,1H3,(H2,10,11,12,15)
InChIKeyRAOOPUMZVIAWFR-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.70
Rot. Bonds2

About 3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136768295) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136768295
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC1CCN(Cc2n[nH]c(=O)[nH]2)CC1O
InChIInChI=1S/C9H16N4O2/c1-6-2-3-13(4-7(6)14)5-8-10-9(15)12-11-8/h6-7,14H,2-5H2,1H3,(H2,10,11,12,15)
InChIKeyRAOOPUMZVIAWFR-UHFFFAOYSA-N
XLogP-0.70
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768269
6-(3-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
CID 103896152
5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 136590629
3-[[3-(Hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136689783
N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136703856
3-[[4-(1-Hydroxyethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768240
3-[[2-(1-Hydroxypropyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768244
3-[[(2-Cyclopropyl-2-hydroxyethyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768253
3-[[2-(Hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768284
3-[[4-Ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768292

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 136768295) is 3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one is CC1CCN(Cc2n[nH]c(=O)[nH]2)CC1O.
What is the InChIKey of 3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is RAOOPUMZVIAWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6-2-3-13(4-7(6)14)5-8-10-9(15)12-11-8/h6-7,14H,2-5H2,1H3,(H2,10,11,12,15).
What are the key properties of 3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 212.25 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136768295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).