1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide

C11H15F3N6O — CID 106775529

IUPAC1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide
SMILESNNc1cc(N2CCCCC2C(N)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N6O/c12-11(13,14)10-17-7(19-16)5-8(18-10)20-4-2-1-3-6(20)9(15)21/h5-6H,1-4,16H2,(H2,15,21)(H,17,18,19)
InChIKeyXSURESDGSNCETK-UHFFFAOYSA-N
MW304.28 g/mol
LogP0.63
Rot. Bonds3

About 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide

1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide (PubChem CID 106775529) has the molecular formula C11H15F3N6O and a molecular weight of 304.28 g/mol. Its IUPAC name is 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide
PubChem CID106775529
Molecular FormulaC11H15F3N6O
Molecular Weight304.28 g/mol
Exact Mass304.13
IUPAC Name1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide
SMILESNNc1cc(N2CCCCC2C(N)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N6O/c12-11(13,14)10-17-7(19-16)5-8(18-10)20-4-2-1-3-6(20)9(15)21/h5-6H,1-4,16H2,(H2,15,21)(H,17,18,19)
InChIKeyXSURESDGSNCETK-UHFFFAOYSA-N
XLogP0.63
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 50.63
H-Bond Donors ≤ 53
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 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80904574
1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80964808
1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80960881
1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80937172
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80946575
1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80932532
1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 106775658
1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806613
(2S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 145433357
[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106775519
[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol
CID 106771022
1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 106769882

Frequently Asked Questions

What is the IUPAC name of 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide?
The IUPAC name of 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide (CID 106775529) is 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide?
The canonical SMILES for 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide is NNc1cc(N2CCCCC2C(N)=O)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide?
The InChIKey is XSURESDGSNCETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N6O/c12-11(13,14)10-17-7(19-16)5-8(18-10)20-4-2-1-3-6(20)9(15)21/h5-6H,1-4,16H2,(H2,15,21)(H,17,18,19).
What are the key properties of 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide?
1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide has a molecular weight of 304.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide is sourced from PubChem (CID 106775529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).