3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one

C11H20N4O2 — CID 136768282

IUPAC3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CN(CCO)C2CCCCC2)[nH]1
InChIInChI=1S/C11H20N4O2/c16-7-6-15(9-4-2-1-3-5-9)8-10-12-11(17)14-13-10/h9,16H,1-8H2,(H2,12,13,14,17)
InChIKeyPQMOEMRTALGBJT-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.22
Rot. Bonds5

About 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136768282) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136768282
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CN(CCO)C2CCCCC2)[nH]1
InChIInChI=1S/C11H20N4O2/c16-7-6-15(9-4-2-1-3-5-9)8-10-12-11(17)14-13-10/h9,16H,1-8H2,(H2,12,13,14,17)
InChIKeyPQMOEMRTALGBJT-UHFFFAOYSA-N
XLogP0.22
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[cyclohexyl(2-hydroxyethyl)amino]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-(hydroxymethyl)-4-[1-(methylamino)pentan-2-yl]-1H-1,2,4-triazol-5-one
CID 129015760
6-[cyclohexyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 54998815
3-[[2-Hydroxyethyl(pentyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136689791
3-[[4-(1-Hydroxybutan-2-yl)piperazin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136689797
3-[[2-Hydroxypropyl(propan-2-yl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768237
3-[[2-Hydroxyethyl(3-hydroxypropyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768239
3-[[4-[3-Hydroxypropyl(methyl)amino]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768242
3-[[(2R)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768285

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 136768282) is 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(CN(CCO)C2CCCCC2)[nH]1.
What is the InChIKey of 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is PQMOEMRTALGBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c16-7-6-15(9-4-2-1-3-5-9)8-10-12-11(17)14-13-10/h9,16H,1-8H2,(H2,12,13,14,17).
What are the key properties of 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 240.31 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136768282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).