1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone

C10H14F3N7O — CID 3041958

IUPAC1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(NN)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H14F3N7O/c1-6(21)19-2-4-20(5-3-19)9-16-7(10(11,12)13)15-8(17-9)18-14/h2-5,14H2,1H3,(H,15,16,17,18)
InChIKeyBXKIGIOXWXCDMS-UHFFFAOYSA-N
MW305.26 g/mol
LogP-0.16
Rot. Bonds2

About 1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone

1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (PubChem CID 3041958) has the molecular formula C10H14F3N7O and a molecular weight of 305.26 g/mol. Its IUPAC name is 1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
PubChem CID3041958
Molecular FormulaC10H14F3N7O
Molecular Weight305.26 g/mol
Exact Mass305.12
IUPAC Name1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(NN)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H14F3N7O/c1-6(21)19-2-4-20(5-3-19)9-16-7(10(11,12)13)15-8(17-9)18-14/h2-5,14H2,1H3,(H,15,16,17,18)
InChIKeyBXKIGIOXWXCDMS-UHFFFAOYSA-N
XLogP-0.16
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 5-0.16
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 1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (CID 3041958) is 1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(NN)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is BXKIGIOXWXCDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N7O/c1-6(21)19-2-4-20(5-3-19)9-16-7(10(11,12)13)15-8(17-9)18-14/h2-5,14H2,1H3,(H,15,16,17,18).
What are the key properties of 1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 305.26 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 3041958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).