4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one

C9H9FN4O — CID 118577456

IUPAC4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one
SMILESNC1=NC(c2ccc(F)cc2)NC(=O)N1
InChIInChI=1S/C9H9FN4O/c10-6-3-1-5(2-4-6)7-12-8(11)14-9(15)13-7/h1-4,7H,(H4,11,12,13,14,15)
InChIKeyIIPYBCQHBOPOGK-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.45
Rot. Bonds1

About 4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one

4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one (PubChem CID 118577456) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one.

Molecular Properties

Compound Name4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one
PubChem CID118577456
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one
SMILESNC1=NC(c2ccc(F)cc2)NC(=O)N1
InChIInChI=1S/C9H9FN4O/c10-6-3-1-5(2-4-6)7-12-8(11)14-9(15)13-7/h1-4,7H,(H4,11,12,13,14,15)
InChIKeyIIPYBCQHBOPOGK-UHFFFAOYSA-N
XLogP0.45
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one?
The IUPAC name of 4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one (CID 118577456) is 4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one.
What is the SMILES notation for 4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one?
The canonical SMILES for 4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one is NC1=NC(c2ccc(F)cc2)NC(=O)N1.
What is the InChIKey of 4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one?
The InChIKey is IIPYBCQHBOPOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c10-6-3-1-5(2-4-6)7-12-8(11)14-9(15)13-7/h1-4,7H,(H4,11,12,13,14,15).
What are the key properties of 4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one?
4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one has a molecular weight of 208.20 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one is sourced from PubChem (CID 118577456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).