4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one

C12H16F3N5O — CID 102720736

IUPAC4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C12H16F3N5O/c1-11(2)10(21)17-3-4-20(11)9-6-7(12(13,14)15)5-8(18-9)19-16/h5-6H,3-4,16H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyWGZSCFOQYUHEAU-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.10
Rot. Bonds2

About 4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one

4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one (PubChem CID 102720736) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is 4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one
PubChem CID102720736
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC Name4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C12H16F3N5O/c1-11(2)10(21)17-3-4-20(11)9-6-7(12(13,14)15)5-8(18-9)19-16/h5-6H,3-4,16H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyWGZSCFOQYUHEAU-UHFFFAOYSA-N
XLogP1.10
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.10
H-Bond Donors ≤ 53
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 4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one (CID 102720736) is 4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1c1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of 4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is WGZSCFOQYUHEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c1-11(2)10(21)17-3-4-20(11)9-6-7(12(13,14)15)5-8(18-9)19-16/h5-6H,3-4,16H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one?
4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 303.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 102720736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).