(5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one

C16H22N4O — CID 7331409

IUPAC(5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one
SMILESCCN1N=C(c2ccccc2)[C@@H](N2CCCCC2)NC1=O
InChIInChI=1S/C16H22N4O/c1-2-20-16(21)17-15(19-11-7-4-8-12-19)14(18-20)13-9-5-3-6-10-13/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3,(H,17,21)/t15-/m1/s1
InChIKeyBLKACEQGBQPMHO-OAHLLOKOSA-N
MW286.38 g/mol
LogP2.25
Rot. Bonds3

About (5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one

(5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one (PubChem CID 7331409) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one.

Molecular Properties

Compound Name(5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one
PubChem CID7331409
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one
SMILESCCN1N=C(c2ccccc2)[C@@H](N2CCCCC2)NC1=O
InChIInChI=1S/C16H22N4O/c1-2-20-16(21)17-15(19-11-7-4-8-12-19)14(18-20)13-9-5-3-6-10-13/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3,(H,17,21)/t15-/m1/s1
InChIKeyBLKACEQGBQPMHO-OAHLLOKOSA-N
XLogP2.25
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one?
The IUPAC name of (5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one (CID 7331409) is (5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one.
What is the SMILES notation for (5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one?
The canonical SMILES for (5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one is CCN1N=C(c2ccccc2)[C@@H](N2CCCCC2)NC1=O.
What is the InChIKey of (5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one?
The InChIKey is BLKACEQGBQPMHO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-20-16(21)17-15(19-11-7-4-8-12-19)14(18-20)13-9-5-3-6-10-13/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3,(H,17,21)/t15-/m1/s1.
What are the key properties of (5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one?
(5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one has a molecular weight of 286.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one is sourced from PubChem (CID 7331409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).