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

Analyze 4-(9H-fluoren-2-yl)-1,2,4-triazole-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

Related Compounds

2-(9H-fluoren-2-yl)isoindole-1,3-dione
CID 1331291
(3aR,4S,7S,7aR)-2-(9H-fluoren-2-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 98063722
2-(9H-fluoren-2-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 3669106
(3aS,4R,7R,7aS)-2-(9H-fluoren-2-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 124762904
1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione
CID 44516360
9H-fluorene;oxophosphane
CID 174601741
(3aS,7aR)-3-(9H-fluoren-2-yl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one
CID 101164096
2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione
CID 3874335
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
(5S)-5-(aminomethyl)-3-(9H-fluoren-2-yl)-1,3-oxazolidin-2-one
CID 15858850
(3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 51616571
9H-fluorene;oxozirconium
CID 174355249

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).