4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione

C15H9N3O2 — CID 12034266

IUPAC4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione
SMILESO=C1N=NC(=O)N1c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C15H9N3O2/c19-14-16-17-15(20)18(14)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKeyDAKKSUHBPVDMDB-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.77
Rot. Bonds1

About 4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione

4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione (PubChem CID 12034266) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione.

Molecular Properties

Compound Name4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione
PubChem CID12034266
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione
SMILESO=C1N=NC(=O)N1c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C15H9N3O2/c19-14-16-17-15(20)18(14)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKeyDAKKSUHBPVDMDB-UHFFFAOYSA-N
XLogP3.77
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione?
The IUPAC name of 4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione (CID 12034266) is 4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione.
What is the SMILES notation for 4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione?
The canonical SMILES for 4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione is O=C1N=NC(=O)N1c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione?
The InChIKey is DAKKSUHBPVDMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c19-14-16-17-15(20)18(14)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2.
What are the key properties of 4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione?
4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione has a molecular weight of 263.26 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione is sourced from PubChem (CID 12034266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).