[4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C12H19F3N6 — CID 114567233

IUPAC[4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCCC1CN(c2cc(C(F)(F)F)nc(NN)n2)CCN1C
InChIInChI=1S/C12H19F3N6/c1-3-8-7-21(5-4-20(8)2)10-6-9(12(13,14)15)17-11(18-10)19-16/h6,8H,3-5,7,16H2,1-2H3,(H,17,18,19)
InChIKeyZHESNGLHFUVRQU-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.31
Rot. Bonds3

About [4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567233) has the molecular formula C12H19F3N6 and a molecular weight of 304.32 g/mol. Its IUPAC name is [4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567233
Molecular FormulaC12H19F3N6
Molecular Weight304.32 g/mol
Exact Mass304.16
IUPAC Name[4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCCC1CN(c2cc(C(F)(F)F)nc(NN)n2)CCN1C
InChIInChI=1S/C12H19F3N6/c1-3-8-7-21(5-4-20(8)2)10-6-9(12(13,14)15)17-11(18-10)19-16/h6,8H,3-5,7,16H2,1-2H3,(H,17,18,19)
InChIKeyZHESNGLHFUVRQU-UHFFFAOYSA-N
XLogP1.31
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-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 [4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567233) is [4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is CCC1CN(c2cc(C(F)(F)F)nc(NN)n2)CCN1C.
What is the InChIKey of [4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is ZHESNGLHFUVRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N6/c1-3-8-7-21(5-4-20(8)2)10-6-9(12(13,14)15)17-11(18-10)19-16/h6,8H,3-5,7,16H2,1-2H3,(H,17,18,19).
What are the key properties of [4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 304.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).