1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea

C9H9F3N4O — CID 131985079

IUPAC1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea
SMILESNNC(=O)N/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)7-3-1-6(2-4-7)5-14-16-8(17)15-13/h1-5H,13H2,(H2,15,16,17)/b14-5+
InChIKeyRJGMZNFLNBHEKR-LHHJGKSTSA-N
MW246.19 g/mol
LogP1.21
Rot. Bonds2

About 1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea

1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea (PubChem CID 131985079) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea
PubChem CID131985079
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea
SMILESNNC(=O)N/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)7-3-1-6(2-4-7)5-14-16-8(17)15-13/h1-5H,13H2,(H2,15,16,17)/b14-5+
InChIKeyRJGMZNFLNBHEKR-LHHJGKSTSA-N
XLogP1.21
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea 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-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea
CID 88822075
N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 174961803
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 126006156
2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338386
2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 869882
N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
CID 939997
N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879061
2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 2344438
1-[(Z)-(4-fluorophenyl)methylideneamino]-3-[(4-fluorophenyl)methylideneamino]urea
CID 5383880
2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
CID 5398429
2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
CID 16719292

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea?
The IUPAC name of 1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea (CID 131985079) is 1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea.
What is the SMILES notation for 1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea?
The canonical SMILES for 1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea is NNC(=O)N/N=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea?
The InChIKey is RJGMZNFLNBHEKR-LHHJGKSTSA-N. The full InChI is InChI=1S/C9H9F3N4O/c10-9(11,12)7-3-1-6(2-4-7)5-14-16-8(17)15-13/h1-5H,13H2,(H2,15,16,17)/b14-5+.
What are the key properties of 1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea?
1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea has a molecular weight of 246.19 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea is sourced from PubChem (CID 131985079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).