4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one

C10H10F3N3O — CID 143833676

IUPAC4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one
SMILESN/C(=C\C=C(/N)C(F)(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)8(15)2-1-7(14)6-3-4-16-9(17)5-6/h1-5H,14-15H2,(H,16,17)/b7-1-,8-2-
InChIKeyUSHLCJYDEXHIBO-NDBDHSCESA-N
MW245.20 g/mol
LogP1.08
Rot. Bonds2

About 4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one

4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one (PubChem CID 143833676) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one
PubChem CID143833676
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one
SMILESN/C(=C\C=C(/N)C(F)(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)8(15)2-1-7(14)6-3-4-16-9(17)5-6/h1-5H,14-15H2,(H,16,17)/b7-1-,8-2-
InChIKeyUSHLCJYDEXHIBO-NDBDHSCESA-N
XLogP1.08
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one?
The IUPAC name of 4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one (CID 143833676) is 4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one is N/C(=C\C=C(/N)C(F)(F)F)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one?
The InChIKey is USHLCJYDEXHIBO-NDBDHSCESA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)8(15)2-1-7(14)6-3-4-16-9(17)5-6/h1-5H,14-15H2,(H,16,17)/b7-1-,8-2-.
What are the key properties of 4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one?
4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one has a molecular weight of 245.20 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]-1H-pyridin-2-one is sourced from PubChem (CID 143833676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).