2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione

C23H24FN5O3 — CID 95074830

IUPAC2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione
SMILESCc1cccc(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)c(=O)n(C)c3=O)C[C@H]2C)c1
InChIInChI=1S/C23H24FN5O3/c1-15-5-4-6-19(13-15)28-12-11-27(14-16(28)2)22(31)20-21(30)26(3)23(32)29(25-20)18-9-7-17(24)8-10-18/h4-10,13,16H,11-12,14H2,1-3H3/t16-/m1/s1
InChIKeyMAGBILPARMYSFZ-MRXNPFEDSA-N
MW437.48 g/mol
LogP1.73
Rot. Bonds3

About 2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione

2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione (PubChem CID 95074830) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione
PubChem CID95074830
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione
SMILESCc1cccc(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)c(=O)n(C)c3=O)C[C@H]2C)c1
InChIInChI=1S/C23H24FN5O3/c1-15-5-4-6-19(13-15)28-12-11-27(14-16(28)2)22(31)20-21(30)26(3)23(32)29(25-20)18-9-7-17(24)8-10-18/h4-10,13,16H,11-12,14H2,1-3H3/t16-/m1/s1
InChIKeyMAGBILPARMYSFZ-MRXNPFEDSA-N
XLogP1.73
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione 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 2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione (CID 95074830) is 2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione is Cc1cccc(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)c(=O)n(C)c3=O)C[C@H]2C)c1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione?
The InChIKey is MAGBILPARMYSFZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-15-5-4-6-19(13-15)28-12-11-27(14-16(28)2)22(31)20-21(30)26(3)23(32)29(25-20)18-9-7-17(24)8-10-18/h4-10,13,16H,11-12,14H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione?
2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione has a molecular weight of 437.48 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 95074830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).