3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one

C11H11FN4O — CID 135445392

IUPAC3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NCc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C11H11FN4O/c1-7-10(17)14-11(16-15-7)13-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H2,13,14,16,17)
InChIKeyJLZCJSLGFGTTBQ-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.22
Rot. Bonds3

About 3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one

3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135445392) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135445392
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NCc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C11H11FN4O/c1-7-10(17)14-11(16-15-7)13-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H2,13,14,16,17)
InChIKeyJLZCJSLGFGTTBQ-UHFFFAOYSA-N
XLogP1.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one 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

4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 118577456
3-(4-benzyl-1-piperazinyl)-6-methyl-1,2,4-triazin-5(4H)-one
CID 135399394
6-(4-Fluorobenzyl)-3-(prop-2-en-1-ylamino)-1,2,4-triazin-5-ol
CID 135561173
4-Amino-6-methyl-3-phenethylamino-4H-[1,2,4]triazin-5-one
CID 753533
4-Ethylimino-6-(4-fluorophenyl)-1,3,5-triazinan-2-one
CID 136728217
6-Methyl-3-[(2-phenylethyl)amino]-1,2,4-triazin-5-ol
CID 135449193
3-Benzylamino-4H-[1,2,4]triazin-5-one
CID 135450654
3-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methyl-1,2,4-triazin-5-ol
CID 135485469
4-(4-Fluorophenyl)-6-propylimino-1,3,5-triazinan-2-one
CID 137129944
4H-[1,2,4]Triazin-5-one, 4-amino-3-benzylamino-6-methyl-
CID 753531
3-(benzylamino)-6-methyl-1,2,4-triazin-5(4H)-one
CID 135453550
3-(Benzylamino)-6-tert-butyl-1,2,4-triazin-5-ol
CID 135453663

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one (CID 135445392) is 3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(NCc2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is JLZCJSLGFGTTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-7-10(17)14-11(16-15-7)13-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H2,13,14,16,17).
What are the key properties of 3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 234.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135445392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).