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

C11H14F3N7 — CID 106776297

IUPAC[6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(CC)n(-c2cc(NN)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H14F3N7/c1-3-6-16-8(4-2)21(20-6)9-5-7(19-15)17-10(18-9)11(12,13)14/h5H,3-4,15H2,1-2H3,(H,17,18,19)
InChIKeyZKFHKNSUVYCDJX-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.49
Rot. Bonds4

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

[6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776297) has the molecular formula C11H14F3N7 and a molecular weight of 301.28 g/mol. Its IUPAC name is [6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776297
Molecular FormulaC11H14F3N7
Molecular Weight301.28 g/mol
Exact Mass301.13
IUPAC Name[6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(CC)n(-c2cc(NN)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H14F3N7/c1-3-6-16-8(4-2)21(20-6)9-5-7(19-15)17-10(18-9)11(12,13)14/h5H,3-4,15H2,1-2H3,(H,17,18,19)
InChIKeyZKFHKNSUVYCDJX-UHFFFAOYSA-N
XLogP1.49
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.49
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'}

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Frequently Asked Questions

What is the IUPAC name of [6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776297) is [6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CCc1nc(CC)n(-c2cc(NN)nc(C(F)(F)F)n2)n1.
What is the InChIKey of [6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is ZKFHKNSUVYCDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N7/c1-3-6-16-8(4-2)21(20-6)9-5-7(19-15)17-10(18-9)11(12,13)14/h5H,3-4,15H2,1-2H3,(H,17,18,19).
What are the key properties of [6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 301.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).