[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C9H10F3N7 — CID 106776277

IUPAC[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(C)n(-c2cc(NN)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H10F3N7/c1-4-14-5(2)19(18-4)7-3-6(17-13)15-8(16-7)9(10,11)12/h3H,13H2,1-2H3,(H,15,16,17)
InChIKeyQRNAGIJQGXNYIY-UHFFFAOYSA-N
MW273.22 g/mol
LogP0.98
Rot. Bonds2

About [6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776277) has the molecular formula C9H10F3N7 and a molecular weight of 273.22 g/mol. Its IUPAC name is [6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776277
Molecular FormulaC9H10F3N7
Molecular Weight273.22 g/mol
Exact Mass273.09
IUPAC Name[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(C)n(-c2cc(NN)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H10F3N7/c1-4-14-5(2)19(18-4)7-3-6(17-13)15-8(16-7)9(10,11)12/h3H,13H2,1-2H3,(H,15,16,17)
InChIKeyQRNAGIJQGXNYIY-UHFFFAOYSA-N
XLogP0.98
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776277) is [6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is Cc1nc(C)n(-c2cc(NN)nc(C(F)(F)F)n2)n1.
What is the InChIKey of [6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is QRNAGIJQGXNYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N7/c1-4-14-5(2)19(18-4)7-3-6(17-13)15-8(16-7)9(10,11)12/h3H,13H2,1-2H3,(H,15,16,17).
What are the key properties of [6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 273.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).