5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one

C5H5F3N4O2 — CID 11974987

IUPAC5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one
SMILESCn1nc(C(F)(F)F)nc(NO)c1=O
InChIInChI=1S/C5H5F3N4O2/c1-12-3(13)2(11-14)9-4(10-12)5(6,7)8/h14H,1H3,(H,9,10,11)
InChIKeyIJJFZFORNNPTBF-UHFFFAOYSA-N
MW210.11 g/mol
LogP-0.00
Rot. Bonds1

About 5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one

5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one (PubChem CID 11974987) has the molecular formula C5H5F3N4O2 and a molecular weight of 210.11 g/mol. Its IUPAC name is 5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one.

Molecular Properties

Compound Name5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one
PubChem CID11974987
Molecular FormulaC5H5F3N4O2
Molecular Weight210.11 g/mol
Exact Mass210.04
IUPAC Name5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one
SMILESCn1nc(C(F)(F)F)nc(NO)c1=O
InChIInChI=1S/C5H5F3N4O2/c1-12-3(13)2(11-14)9-4(10-12)5(6,7)8/h14H,1H3,(H,9,10,11)
InChIKeyIJJFZFORNNPTBF-UHFFFAOYSA-N
XLogP-0.00
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 12774391
potassium 2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxylate
CID 171326004
[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine
CID 83875298
2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
CID 91455987
5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 144898582
2,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 171679218
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide
CID 171679266
3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide
CID 171679215
[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methylcarbamic acid
CID 129139581
ethane;1-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 162440075
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 171679225
4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 171679224

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one?
The IUPAC name of 5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one (CID 11974987) is 5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one.
What is the SMILES notation for 5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one?
The canonical SMILES for 5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one is Cn1nc(C(F)(F)F)nc(NO)c1=O.
What is the InChIKey of 5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one?
The InChIKey is IJJFZFORNNPTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O2/c1-12-3(13)2(11-14)9-4(10-12)5(6,7)8/h14H,1H3,(H,9,10,11).
What are the key properties of 5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one?
5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one has a molecular weight of 210.11 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one is sourced from PubChem (CID 11974987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).