2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile

C14H12F3N5O — CID 169337957

IUPAC2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(N2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N5O/c15-14(16,17)10-5-11(20-21-12(8-18)9-19)7-13(6-10)22-1-3-23-4-2-22/h5-7,20H,1-4H2
InChIKeySVUIYIDWHZGHEB-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.36
Rot. Bonds3

About 2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile

2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169337957) has the molecular formula C14H12F3N5O and a molecular weight of 323.28 g/mol. Its IUPAC name is 2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169337957
Molecular FormulaC14H12F3N5O
Molecular Weight323.28 g/mol
Exact Mass323.10
IUPAC Name2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(N2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N5O/c15-14(16,17)10-5-11(20-21-12(8-18)9-19)7-13(6-10)22-1-3-23-4-2-22/h5-7,20H,1-4H2
InChIKeySVUIYIDWHZGHEB-UHFFFAOYSA-N
XLogP2.36
TPSA84.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile 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

2-[[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile
CID 169339207
4-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]benzamide
CID 18416442
4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169370241
2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile
CID 169341496
2-[(5-chloro-2-morpholin-4-ylphenyl)hydrazinylidene]propanedinitrile
CID 169339155
2-[(5-bromo-2-morpholin-4-ylphenyl)hydrazinylidene]propanedinitrile
CID 169341352
2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169341997
2-[[2-cyano-6-iodo-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338743
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
2-fluoro-N-[4-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide
CID 15955556
N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 171059121
2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile
CID 169337896

Frequently Asked Questions

What is the IUPAC name of 2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile (CID 169337957) is 2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cc(N2CCOCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is SVUIYIDWHZGHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O/c15-14(16,17)10-5-11(20-21-12(8-18)9-19)7-13(6-10)22-1-3-23-4-2-22/h5-7,20H,1-4H2.
What are the key properties of 2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 323.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).