3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one

C8H14N4O — CID 136966017

IUPAC3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCN1CCC(c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C8H14N4O/c1-12-4-2-6(3-5-12)7-9-8(13)11-10-7/h6H,2-5H2,1H3,(H2,9,10,11,13)
InChIKeyCWHGLJOXYCBAOK-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.09
Rot. Bonds1

About 3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one

3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136966017) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136966017
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCN1CCC(c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C8H14N4O/c1-12-4-2-6(3-5-12)7-9-8(13)11-10-7/h6H,2-5H2,1H3,(H2,9,10,11,13)
InChIKeyCWHGLJOXYCBAOK-UHFFFAOYSA-N
XLogP-0.09
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-methylpiperidin-4-yl)-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

5-(piperidin-4-yl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride
CID 136660906
5-(piperidin-3-yl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride
CID 136837222
4-Ethyl-1-methyl-3-(piperidin-4-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 86820476
4-ethyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 71756222
4-methyl-3-(5-methylpiperidin-3-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 137944260
3-(Piperidin-3-YL)-4-(propan-2-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 81487694
4-Ethyl-5-(piperidin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 81488374
1-Methyl-3-(piperidin-4-YL)-4-(propan-2-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 86820475
3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 136041626
4-ethyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 71756223
3-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-one
CID 116013730
3-(piperidin-3-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 136041637

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one (CID 136966017) is 3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one is CN1CCC(c2n[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is CWHGLJOXYCBAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-12-4-2-6(3-5-12)7-9-8(13)11-10-7/h6H,2-5H2,1H3,(H2,9,10,11,13).
What are the key properties of 3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 182.23 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136966017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).