4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione

C17H23N5O2 — CID 118713102

IUPAC4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)cnn(CCCN2CCN(c3ccccc3)CC2)c1=O
InChIInChI=1S/C17H23N5O2/c1-19-16(23)14-18-22(17(19)24)9-5-8-20-10-12-21(13-11-20)15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13H2,1H3
InChIKeyDCOBFACBOMVJRP-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.15
Rot. Bonds5

About 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione

4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione (PubChem CID 118713102) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione
PubChem CID118713102
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)cnn(CCCN2CCN(c3ccccc3)CC2)c1=O
InChIInChI=1S/C17H23N5O2/c1-19-16(23)14-18-22(17(19)24)9-5-8-20-10-12-21(13-11-20)15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13H2,1H3
InChIKeyDCOBFACBOMVJRP-UHFFFAOYSA-N
XLogP0.15
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione (CID 118713102) is 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione is Cn1c(=O)cnn(CCCN2CCN(c3ccccc3)CC2)c1=O.
What is the InChIKey of 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione?
The InChIKey is DCOBFACBOMVJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-19-16(23)14-18-22(17(19)24)9-5-8-20-10-12-21(13-11-20)15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13H2,1H3.
What are the key properties of 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione?
4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione has a molecular weight of 329.40 g/mol, XLogP of 0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 118713102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).