3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one

C19H24N4O2 — CID 135868969

IUPAC3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one
SMILESCc1ccc(-c2nnc(CCC(=O)N3CCC(C)CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C19H24N4O2/c1-13-3-5-15(6-4-13)18-20-19(25)16(21-22-18)7-8-17(24)23-11-9-14(2)10-12-23/h3-6,14H,7-12H2,1-2H3,(H,20,22,25)
InChIKeyQOSXHYGNENRYEQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.33
Rot. Bonds4

About 3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one

3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one (PubChem CID 135868969) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one
PubChem CID135868969
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one
SMILESCc1ccc(-c2nnc(CCC(=O)N3CCC(C)CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C19H24N4O2/c1-13-3-5-15(6-4-13)18-20-19(25)16(21-22-18)7-8-17(24)23-11-9-14(2)10-12-23/h3-6,14H,7-12H2,1-2H3,(H,20,22,25)
InChIKeyQOSXHYGNENRYEQ-UHFFFAOYSA-N
XLogP2.33
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one (CID 135868969) is 3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one is Cc1ccc(-c2nnc(CCC(=O)N3CCC(C)CC3)c(=O)[nH]2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one?
The InChIKey is QOSXHYGNENRYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-3-5-15(6-4-13)18-20-19(25)16(21-22-18)7-8-17(24)23-11-9-14(2)10-12-23/h3-6,14H,7-12H2,1-2H3,(H,20,22,25).
What are the key properties of 3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one?
3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one has a molecular weight of 340.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135868969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).