3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one

C8H14N4O — CID 137265712

IUPAC3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CN2CCCCC2)[nH]1
InChIInChI=1S/C8H14N4O/c13-8-9-7(10-11-8)6-12-4-2-1-3-5-12/h1-6H2,(H2,9,10,11,13)
InChIKeyWUAIZWKHDXXIRY-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.08
Rot. Bonds2

About 3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137265712) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137265712
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CN2CCCCC2)[nH]1
InChIInChI=1S/C8H14N4O/c13-8-9-7(10-11-8)6-12-4-2-1-3-5-12/h1-6H2,(H2,9,10,11,13)
InChIKeyWUAIZWKHDXXIRY-UHFFFAOYSA-N
XLogP0.08
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136520359
5-(piperidin-1-ylmethyl)-4-propyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50958863
3-[(4-Methylpiperazin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135769981
4-methyl-3-piperidin-2-yl-1H-1,2,4-triazol-5-one
CID 81908250
4-methyl-5-{2-[(1-methyl-2-piperidin-1-ylethyl)amino]ethyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 131947646
3-(1-Piperidin-4-ylpyrrolidin-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136041560
3-[(Cyclopentylamino)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136041655
3-(piperidin-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 136041658
3-(1-Piperazin-1-ylethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136125731
3-(Piperazin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136125732
3-(Piperidin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136278700
3-(1,4-Dimethylpiperazin-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136295883

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 137265712) is 3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(CN2CCCCC2)[nH]1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is WUAIZWKHDXXIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c13-8-9-7(10-11-8)6-12-4-2-1-3-5-12/h1-6H2,(H2,9,10,11,13).
What are the key properties of 3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 182.23 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137265712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).