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

C10H9FN4O — CID 20995217

IUPAC5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one
SMILESO=c1nc(NCc2ccccc2F)cn[nH]1
InChIInChI=1S/C10H9FN4O/c11-8-4-2-1-3-7(8)5-12-9-6-13-15-10(16)14-9/h1-4,6H,5H2,(H2,12,14,15,16)
InChIKeyCQWITOCJFGUJBK-UHFFFAOYSA-N
MW220.21 g/mol
LogP0.92
Rot. Bonds3

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

5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one (PubChem CID 20995217) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one
PubChem CID20995217
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one
SMILESO=c1nc(NCc2ccccc2F)cn[nH]1
InChIInChI=1S/C10H9FN4O/c11-8-4-2-1-3-7(8)5-12-9-6-13-15-10(16)14-9/h1-4,6H,5H2,(H2,12,14,15,16)
InChIKeyCQWITOCJFGUJBK-UHFFFAOYSA-N
XLogP0.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[2-(2-fluorophenyl)ethyl]-5-N-[(2-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949549
6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 112724528
6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715459
1-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 43662344
N-[(2-fluorophenyl)methyl]-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 154583347
N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112949572
N-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112945960
3-N-[(2-fluorophenyl)methyl]-5-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112949707
5-N-[(2-fluorophenyl)methyl]-3-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112949584
N-[4-[[5-[(2-fluorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112949650
4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770518
2-tert-butyl-4-N-[(2-fluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80955396

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one (CID 20995217) is 5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one is O=c1nc(NCc2ccccc2F)cn[nH]1.
What is the InChIKey of 5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one?
The InChIKey is CQWITOCJFGUJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c11-8-4-2-1-3-7(8)5-12-9-6-13-15-10(16)14-9/h1-4,6H,5H2,(H2,12,14,15,16).
What are the key properties of 5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one?
5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one has a molecular weight of 220.21 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 20995217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).