1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine

C11H10F3N5 — CID 6413486

IUPAC1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine
SMILESCN(N)c1nc(-c2ccccc2)nnc1C(F)(F)F
InChIInChI=1S/C11H10F3N5/c1-19(15)10-8(11(12,13)14)17-18-9(16-10)7-5-3-2-4-6-7/h2-6H,15H2,1H3
InChIKeyCMZZMHPBMBDDBY-UHFFFAOYSA-N
MW269.23 g/mol
LogP1.87
Rot. Bonds2

About 1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine

1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine (PubChem CID 6413486) has the molecular formula C11H10F3N5 and a molecular weight of 269.23 g/mol. Its IUPAC name is 1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine.

Molecular Properties

Compound Name1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine
PubChem CID6413486
Molecular FormulaC11H10F3N5
Molecular Weight269.23 g/mol
Exact Mass269.09
IUPAC Name1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine
SMILESCN(N)c1nc(-c2ccccc2)nnc1C(F)(F)F
InChIInChI=1S/C11H10F3N5/c1-19(15)10-8(11(12,13)14)17-18-9(16-10)7-5-3-2-4-6-7/h2-6H,15H2,1H3
InChIKeyCMZZMHPBMBDDBY-UHFFFAOYSA-N
XLogP1.87
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine?
The IUPAC name of 1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine (CID 6413486) is 1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine.
What is the SMILES notation for 1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine?
The canonical SMILES for 1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine is CN(N)c1nc(-c2ccccc2)nnc1C(F)(F)F.
What is the InChIKey of 1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine?
The InChIKey is CMZZMHPBMBDDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5/c1-19(15)10-8(11(12,13)14)17-18-9(16-10)7-5-3-2-4-6-7/h2-6H,15H2,1H3.
What are the key properties of 1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine?
1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine has a molecular weight of 269.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]hydrazine is sourced from PubChem (CID 6413486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).