3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one

C11H20N4O2 — CID 136768292

IUPAC3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCC1(CO)CCN(Cc2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C11H20N4O2/c1-2-11(8-16)3-5-15(6-4-11)7-9-12-10(17)14-13-9/h16H,2-8H2,1H3,(H2,12,13,14,17)
InChIKeyVPTLHFKZNKLYHY-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.08
Rot. Bonds4

About 3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136768292) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136768292
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCC1(CO)CCN(Cc2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C11H20N4O2/c1-2-11(8-16)3-5-15(6-4-11)7-9-12-10(17)14-13-9/h16H,2-8H2,1H3,(H2,12,13,14,17)
InChIKeyVPTLHFKZNKLYHY-UHFFFAOYSA-N
XLogP0.08
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
3-[[3-(Hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136689783
3-[[4-(1-Hydroxyethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768240
3-[[4-[3-Hydroxypropyl(methyl)amino]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768242
3-[(3-Ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768246
3-[[2-(Hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768284
3-[[3-(Hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768287
3-[(3-Hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768295

Frequently Asked Questions

What is the IUPAC name of 3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 136768292) is 3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one is CCC1(CO)CCN(Cc2n[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is VPTLHFKZNKLYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-11(8-16)3-5-15(6-4-11)7-9-12-10(17)14-13-9/h16H,2-8H2,1H3,(H2,12,13,14,17).
What are the key properties of 3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 240.31 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136768292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).