N-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide

C8H14F3N5O — CID 118153094

IUPACN-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide
SMILESCNN/C(=C\C/N=C(\N)NC(C)=O)C(F)(F)F
InChIInChI=1S/C8H14F3N5O/c1-5(17)15-7(12)14-4-3-6(16-13-2)8(9,10)11/h3,13,16H,4H2,1-2H3,(H3,12,14,15,17)/b6-3-
InChIKeyXCTJMSYXSXMLQG-UTCJRWHESA-N
MW253.23 g/mol
LogP-0.39
Rot. Bonds4

About N-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide

N-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide (PubChem CID 118153094) has the molecular formula C8H14F3N5O and a molecular weight of 253.23 g/mol. Its IUPAC name is N-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide
PubChem CID118153094
Molecular FormulaC8H14F3N5O
Molecular Weight253.23 g/mol
Exact Mass253.12
IUPAC NameN-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide
SMILESCNN/C(=C\C/N=C(\N)NC(C)=O)C(F)(F)F
InChIInChI=1S/C8H14F3N5O/c1-5(17)15-7(12)14-4-3-6(16-13-2)8(9,10)11/h3,13,16H,4H2,1-2H3,(H3,12,14,15,17)/b6-3-
InChIKeyXCTJMSYXSXMLQG-UTCJRWHESA-N
XLogP-0.39
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide?
The IUPAC name of N-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide (CID 118153094) is N-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide.
What is the SMILES notation for N-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide?
The canonical SMILES for N-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide is CNN/C(=C\C/N=C(\N)NC(C)=O)C(F)(F)F.
What is the InChIKey of N-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide?
The InChIKey is XCTJMSYXSXMLQG-UTCJRWHESA-N. The full InChI is InChI=1S/C8H14F3N5O/c1-5(17)15-7(12)14-4-3-6(16-13-2)8(9,10)11/h3,13,16H,4H2,1-2H3,(H3,12,14,15,17)/b6-3-.
What are the key properties of N-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide?
N-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide has a molecular weight of 253.23 g/mol, XLogP of -0.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[(Z)-4,4,4-trifluoro-3-(2-methylhydrazinyl)but-2-enyl]carbamimidoyl]acetamide is sourced from PubChem (CID 118153094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).