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

C18H17F3N8O3 — CID 175191629

IUPACN'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
SMILESO=C(COc1ccnc2cc(C(F)(F)F)ccc12)NNc1nnc(C2CNCCO2)nn1
InChIInChI=1S/C18H17F3N8O3/c19-18(20,21)10-1-2-11-12(7-10)23-4-3-13(11)32-9-15(30)24-27-17-28-25-16(26-29-17)14-8-22-5-6-31-14/h1-4,7,14,22H,5-6,8-9H2,(H,24,30)(H,27,28,29)
InChIKeyNYBDXSQGNWHFAH-UHFFFAOYSA-N
MW450.38 g/mol
LogP1.02
Rot. Bonds6

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

N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide (PubChem CID 175191629) has the molecular formula C18H17F3N8O3 and a molecular weight of 450.38 g/mol. Its IUPAC name is N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide.

Molecular Properties

Compound NameN'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
PubChem CID175191629
Molecular FormulaC18H17F3N8O3
Molecular Weight450.38 g/mol
Exact Mass450.14
IUPAC NameN'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
SMILESO=C(COc1ccnc2cc(C(F)(F)F)ccc12)NNc1nnc(C2CNCCO2)nn1
InChIInChI=1S/C18H17F3N8O3/c19-18(20,21)10-1-2-11-12(7-10)23-4-3-13(11)32-9-15(30)24-27-17-28-25-16(26-29-17)14-8-22-5-6-31-14/h1-4,7,14,22H,5-6,8-9H2,(H,24,30)(H,27,28,29)
InChIKeyNYBDXSQGNWHFAH-UHFFFAOYSA-N
XLogP1.02
TPSA136.07 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.38
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
The IUPAC name of N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide (CID 175191629) is N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide.
What is the SMILES notation for N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
The canonical SMILES for N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide is O=C(COc1ccnc2cc(C(F)(F)F)ccc12)NNc1nnc(C2CNCCO2)nn1.
What is the InChIKey of N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
The InChIKey is NYBDXSQGNWHFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N8O3/c19-18(20,21)10-1-2-11-12(7-10)23-4-3-13(11)32-9-15(30)24-27-17-28-25-16(26-29-17)14-8-22-5-6-31-14/h1-4,7,14,22H,5-6,8-9H2,(H,24,30)(H,27,28,29).
What are the key properties of N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
N'-(6-morpholin-2-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 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide is sourced from PubChem (CID 175191629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).