5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione

C17H12FN5O4 — CID 162674262

IUPAC5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione
SMILESCc1cc(=O)oc2cc(-n3cc(Cn4cc(F)c(=O)[nH]c4=O)nn3)ccc12
InChIInChI=1S/C17H12FN5O4/c1-9-4-15(24)27-14-5-11(2-3-12(9)14)23-7-10(20-21-23)6-22-8-13(18)16(25)19-17(22)26/h2-5,7-8H,6H2,1H3,(H,19,25,26)
InChIKeyOTYBQZROSNNJEH-UHFFFAOYSA-N
MW369.31 g/mol
LogP0.72
Rot. Bonds3

About 5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione

5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione (PubChem CID 162674262) has the molecular formula C17H12FN5O4 and a molecular weight of 369.31 g/mol. Its IUPAC name is 5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione
PubChem CID162674262
Molecular FormulaC17H12FN5O4
Molecular Weight369.31 g/mol
Exact Mass369.09
IUPAC Name5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione
SMILESCc1cc(=O)oc2cc(-n3cc(Cn4cc(F)c(=O)[nH]c4=O)nn3)ccc12
InChIInChI=1S/C17H12FN5O4/c1-9-4-15(24)27-14-5-11(2-3-12(9)14)23-7-10(20-21-23)6-22-8-13(18)16(25)19-17(22)26/h2-5,7-8H,6H2,1H3,(H,19,25,26)
InChIKeyOTYBQZROSNNJEH-UHFFFAOYSA-N
XLogP0.72
TPSA115.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-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 5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione (CID 162674262) is 5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione is Cc1cc(=O)oc2cc(-n3cc(Cn4cc(F)c(=O)[nH]c4=O)nn3)ccc12.
What is the InChIKey of 5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is OTYBQZROSNNJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O4/c1-9-4-15(24)27-14-5-11(2-3-12(9)14)23-7-10(20-21-23)6-22-8-13(18)16(25)19-17(22)26/h2-5,7-8H,6H2,1H3,(H,19,25,26).
What are the key properties of 5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione?
5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 369.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 162674262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).