2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide

C12H10F3N5O — CID 3053958

IUPAC2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide
SMILESCc1ccc(-c2cnnc(NNC(=O)C(F)(F)F)n2)cc1
InChIInChI=1S/C12H10F3N5O/c1-7-2-4-8(5-3-7)9-6-16-19-11(17-9)20-18-10(21)12(13,14)15/h2-6H,1H3,(H,18,21)(H,17,19,20)
InChIKeyGFVVSVGMLNADKY-UHFFFAOYSA-N
MW297.24 g/mol
LogP1.85
Rot. Bonds3

About 2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide

2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide (PubChem CID 3053958) has the molecular formula C12H10F3N5O and a molecular weight of 297.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide
PubChem CID3053958
Molecular FormulaC12H10F3N5O
Molecular Weight297.24 g/mol
Exact Mass297.08
IUPAC Name2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide
SMILESCc1ccc(-c2cnnc(NNC(=O)C(F)(F)F)n2)cc1
InChIInChI=1S/C12H10F3N5O/c1-7-2-4-8(5-3-7)9-6-16-19-11(17-9)20-18-10(21)12(13,14)15/h2-6H,1H3,(H,18,21)(H,17,19,20)
InChIKeyGFVVSVGMLNADKY-UHFFFAOYSA-N
XLogP1.85
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide (CID 3053958) is 2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide is Cc1ccc(-c2cnnc(NNC(=O)C(F)(F)F)n2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The InChIKey is GFVVSVGMLNADKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O/c1-7-2-4-8(5-3-7)9-6-16-19-11(17-9)20-18-10(21)12(13,14)15/h2-6H,1H3,(H,18,21)(H,17,19,20).
What are the key properties of 2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide has a molecular weight of 297.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide is sourced from PubChem (CID 3053958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).