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

C11H12FN5O — CID 15586999

IUPAC2-amino-3-(dimethylamino)-6-(4-fluorophenyl)-1,2,4-triazin-5-one
SMILESCN(C)c1nc(=O)c(-c2ccc(F)cc2)nn1N
InChIInChI=1S/C11H12FN5O/c1-16(2)11-14-10(18)9(15-17(11)13)7-3-5-8(12)6-4-7/h3-6H,13H2,1-2H3
InChIKeyYTQKKERAFUZVCC-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.22
Rot. Bonds2

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

2-amino-3-(dimethylamino)-6-(4-fluorophenyl)-1,2,4-triazin-5-one (PubChem CID 15586999) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-amino-3-(dimethylamino)-6-(4-fluorophenyl)-1,2,4-triazin-5-one.

Molecular Properties

Compound Name2-amino-3-(dimethylamino)-6-(4-fluorophenyl)-1,2,4-triazin-5-one
PubChem CID15586999
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name2-amino-3-(dimethylamino)-6-(4-fluorophenyl)-1,2,4-triazin-5-one
SMILESCN(C)c1nc(=O)c(-c2ccc(F)cc2)nn1N
InChIInChI=1S/C11H12FN5O/c1-16(2)11-14-10(18)9(15-17(11)13)7-3-5-8(12)6-4-7/h3-6H,13H2,1-2H3
InChIKeyYTQKKERAFUZVCC-UHFFFAOYSA-N
XLogP0.22
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(dimethylamino)-6-(4-fluorophenyl)-1,2,4-triazin-5-one?
The IUPAC name of 2-amino-3-(dimethylamino)-6-(4-fluorophenyl)-1,2,4-triazin-5-one (CID 15586999) is 2-amino-3-(dimethylamino)-6-(4-fluorophenyl)-1,2,4-triazin-5-one.
What is the SMILES notation for 2-amino-3-(dimethylamino)-6-(4-fluorophenyl)-1,2,4-triazin-5-one?
The canonical SMILES for 2-amino-3-(dimethylamino)-6-(4-fluorophenyl)-1,2,4-triazin-5-one is CN(C)c1nc(=O)c(-c2ccc(F)cc2)nn1N.
What is the InChIKey of 2-amino-3-(dimethylamino)-6-(4-fluorophenyl)-1,2,4-triazin-5-one?
The InChIKey is YTQKKERAFUZVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c1-16(2)11-14-10(18)9(15-17(11)13)7-3-5-8(12)6-4-7/h3-6H,13H2,1-2H3.
What are the key properties of 2-amino-3-(dimethylamino)-6-(4-fluorophenyl)-1,2,4-triazin-5-one?
2-amino-3-(dimethylamino)-6-(4-fluorophenyl)-1,2,4-triazin-5-one has a molecular weight of 249.25 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(dimethylamino)-6-(4-fluorophenyl)-1,2,4-triazin-5-one is sourced from PubChem (CID 15586999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).