4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile

C12H9F3N6 — CID 114567424

IUPAC4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2cc(C(F)(F)F)nc(NN)n2)cc1
InChIInChI=1S/C12H9F3N6/c13-12(14,15)9-5-10(20-11(19-9)21-17)18-8-3-1-7(6-16)2-4-8/h1-5H,17H2,(H2,18,19,20,21)
InChIKeyNHCLHNAFNWUKHM-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.40
Rot. Bonds3

About 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile

4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile (PubChem CID 114567424) has the molecular formula C12H9F3N6 and a molecular weight of 294.24 g/mol. Its IUPAC name is 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
PubChem CID114567424
Molecular FormulaC12H9F3N6
Molecular Weight294.24 g/mol
Exact Mass294.08
IUPAC Name4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2cc(C(F)(F)F)nc(NN)n2)cc1
InChIInChI=1S/C12H9F3N6/c13-12(14,15)9-5-10(20-11(19-9)21-17)18-8-3-1-7(6-16)2-4-8/h1-5H,17H2,(H2,18,19,20,21)
InChIKeyNHCLHNAFNWUKHM-UHFFFAOYSA-N
XLogP2.40
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.40
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'}

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Related Compounds

4-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 114563683
2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567408
N-[2-[[4-(4-cyanoanilino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 145171478
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 114563663
3-[[2-(3-methoxyanilino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 44525752
N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567317
4-[[5-[4-(trifluoromethyl)anilino]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112968264
N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567318
2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,1-dimethylhydrazine
CID 114567551
2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563709
2-hydrazinyl-N-(2-methylcyclopropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567178
4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile
CID 94672705

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile?
The IUPAC name of 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile (CID 114567424) is 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile?
The canonical SMILES for 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile is N#Cc1ccc(Nc2cc(C(F)(F)F)nc(NN)n2)cc1.
What is the InChIKey of 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile?
The InChIKey is NHCLHNAFNWUKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6/c13-12(14,15)9-5-10(20-11(19-9)21-17)18-8-3-1-7(6-16)2-4-8/h1-5H,17H2,(H2,18,19,20,21).
What are the key properties of 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile?
4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile has a molecular weight of 294.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 114567424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).