(5Z)-5-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1,3-bis(2-hydroxyethyl)imidazolidine-2,4-dione

C19H19F3N6O4 — CID 168984049

About (5Z)-5-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1,3-bis(2-hydroxyethyl)imidazolidine-2,4-dione

(5Z)-5-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1,3-bis(2-hydroxyethyl)imidazolidine-2,4-dione (PubChem CID 168984049) has the molecular formula C19H19F3N6O4 and a molecular weight of 452.39 g/mol. Its IUPAC name is (5Z)-5-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1,3-bis(2-hydroxyethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1,3-bis(2-hydroxyethyl)imidazolidine-2,4-dione
• PubChem CID: 168984049
• Molecular Formula: C19H19F3N6O4
• Molecular Weight: 452.39 g/mol
• Exact Mass: 452.14
• IUPAC Name: (5Z)-5-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1,3-bis(2-hydroxyethyl)imidazolidine-2,4-dione
• SMILES: O=C1/C(=C/n2cnc(-c3cc(C4CC4)nc(C(F)(F)F)c3)n2)N(CCO)C(=O)N1CCO
• InChI: InChI=1S/C19H19F3N6O4/c20-19(21,22)15-8-12(7-13(24-15)11-1-2-11)16-23-10-26(25-16)9-14-17(31)28(4-6-30)18(32)27(14)3-5-29/h7-11,29-30H,1-6H2/b14-9-
• InChIKey: PZCBCEJOGWDMHJ-ZROIWOOFSA-N
• XLogP: 1.28
• TPSA: 124.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.39
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1,3-bis(2-hydroxyethyl)imidazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1,3-bis(2-hydroxyethyl)imidazolidine-2,4-dione (CID 168984049) is (5Z)-5-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1,3-bis(2-hydroxyethyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1,3-bis(2-hydroxyethyl)imidazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1,3-bis(2-hydroxyethyl)imidazolidine-2,4-dione is O=C1/C(=C/n2cnc(-c3cc(C4CC4)nc(C(F)(F)F)c3)n2)N(CCO)C(=O)N1CCO.

What is the InChIKey of (5Z)-5-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1,3-bis(2-hydroxyethyl)imidazolidine-2,4-dione?

The InChIKey is PZCBCEJOGWDMHJ-ZROIWOOFSA-N. The full InChI is InChI=1S/C19H19F3N6O4/c20-19(21,22)15-8-12(7-13(24-15)11-1-2-11)16-23-10-26(25-16)9-14-17(31)28(4-6-30)18(32)27(14)3-5-29/h7-11,29-30H,1-6H2/b14-9-.

What are the key properties of (5Z)-5-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1,3-bis(2-hydroxyethyl)imidazolidine-2,4-dione?

(5Z)-5-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1,3-bis(2-hydroxyethyl)imidazolidine-2,4-dione has a molecular weight of 452.39 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1,3-bis(2-hydroxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 168984049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).