4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione

C19H27N7O2 — CID 21256594

IUPAC4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione
SMILESCc1ccnc(N2CCN(C3CCC(n4ncc(=O)n(C)c4=O)CC3)CC2)n1
InChIInChI=1S/C19H27N7O2/c1-14-7-8-20-18(22-14)25-11-9-24(10-12-25)15-3-5-16(6-4-15)26-19(28)23(2)17(27)13-21-26/h7-8,13,15-16H,3-6,9-12H2,1-2H3
InChIKeyJLZLUWPHHZZGBY-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.35
Rot. Bonds3

About 4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione

4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione (PubChem CID 21256594) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione
PubChem CID21256594
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione
SMILESCc1ccnc(N2CCN(C3CCC(n4ncc(=O)n(C)c4=O)CC3)CC2)n1
InChIInChI=1S/C19H27N7O2/c1-14-7-8-20-18(22-14)25-11-9-24(10-12-25)15-3-5-16(6-4-15)26-19(28)23(2)17(27)13-21-26/h7-8,13,15-16H,3-6,9-12H2,1-2H3
InChIKeyJLZLUWPHHZZGBY-UHFFFAOYSA-N
XLogP0.35
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-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 4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione (CID 21256594) is 4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione is Cc1ccnc(N2CCN(C3CCC(n4ncc(=O)n(C)c4=O)CC3)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione?
The InChIKey is JLZLUWPHHZZGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-14-7-8-20-18(22-14)25-11-9-24(10-12-25)15-3-5-16(6-4-15)26-19(28)23(2)17(27)13-21-26/h7-8,13,15-16H,3-6,9-12H2,1-2H3.
What are the key properties of 4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione?
4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione has a molecular weight of 385.47 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]cyclohexyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 21256594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).