2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide

C18H17F3N8O3 — CID 175784493

IUPAC2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
SMILESNNC(=O)C(Oc1ccnc2cc(C(F)(F)F)ccc12)c1nnc(N2CCOCC2)nn1
InChIInChI=1S/C18H17F3N8O3/c19-18(20,21)10-1-2-11-12(9-10)23-4-3-13(11)32-14(16(30)24-22)15-25-27-17(28-26-15)29-5-7-31-8-6-29/h1-4,9,14H,5-8,22H2,(H,24,30)
InChIKeyPTPACWCDBHRQSN-UHFFFAOYSA-N
MW450.38 g/mol
LogP0.78
Rot. Bonds5

About 2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide

2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide (PubChem CID 175784493) has the molecular formula C18H17F3N8O3 and a molecular weight of 450.38 g/mol. Its IUPAC name is 2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide.

Molecular Properties

Compound Name2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
PubChem CID175784493
Molecular FormulaC18H17F3N8O3
Molecular Weight450.38 g/mol
Exact Mass450.14
IUPAC Name2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
SMILESNNC(=O)C(Oc1ccnc2cc(C(F)(F)F)ccc12)c1nnc(N2CCOCC2)nn1
InChIInChI=1S/C18H17F3N8O3/c19-18(20,21)10-1-2-11-12(9-10)23-4-3-13(11)32-14(16(30)24-22)15-25-27-17(28-26-15)29-5-7-31-8-6-29/h1-4,9,14H,5-8,22H2,(H,24,30)
InChIKeyPTPACWCDBHRQSN-UHFFFAOYSA-N
XLogP0.78
TPSA141.27 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide 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 2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
The IUPAC name of 2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide (CID 175784493) is 2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide.
What is the SMILES notation for 2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
The canonical SMILES for 2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide is NNC(=O)C(Oc1ccnc2cc(C(F)(F)F)ccc12)c1nnc(N2CCOCC2)nn1.
What is the InChIKey of 2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
The InChIKey is PTPACWCDBHRQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N8O3/c19-18(20,21)10-1-2-11-12(9-10)23-4-3-13(11)32-14(16(30)24-22)15-25-27-17(28-26-15)29-5-7-31-8-6-29/h1-4,9,14H,5-8,22H2,(H,24,30).
What are the key properties of 2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide has a molecular weight of 450.38 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide is sourced from PubChem (CID 175784493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).