1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione

C20H19N5O2 — CID 72848519

IUPAC1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccccc2-c2ncnn2CCc2ccccc2)C(=O)N1
InChIInChI=1S/C20H19N5O2/c26-18-11-12-24(20(27)23-18)17-9-5-4-8-16(17)19-21-14-22-25(19)13-10-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,26,27)
InChIKeySHLUSOGLPHZUSH-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.63
Rot. Bonds5

About 1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione

1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 72848519) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID72848519
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccccc2-c2ncnn2CCc2ccccc2)C(=O)N1
InChIInChI=1S/C20H19N5O2/c26-18-11-12-24(20(27)23-18)17-9-5-4-8-16(17)19-21-14-22-25(19)13-10-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,26,27)
InChIKeySHLUSOGLPHZUSH-UHFFFAOYSA-N
XLogP2.63
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione (CID 72848519) is 1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccccc2-c2ncnn2CCc2ccccc2)C(=O)N1.
What is the InChIKey of 1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is SHLUSOGLPHZUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-18-11-12-24(20(27)23-18)17-9-5-4-8-16(17)19-21-14-22-25(19)13-10-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,26,27).
What are the key properties of 1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione?
1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 361.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 72848519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).