6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

C16H15F3N4O3 — CID 121028180

IUPAC6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C16H15F3N4O3/c17-16(18,19)26-13-4-2-1-3-11(13)20-15(24)12-5-6-14(22-21-12)23-7-9-25-10-8-23/h1-6H,7-10H2,(H,20,24)
InChIKeyDCLRQJVMNHODNW-UHFFFAOYSA-N
MW368.32 g/mol
LogP2.46
Rot. Bonds4

About 6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (PubChem CID 121028180) has the molecular formula C16H15F3N4O3 and a molecular weight of 368.32 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
PubChem CID121028180
Molecular FormulaC16H15F3N4O3
Molecular Weight368.32 g/mol
Exact Mass368.11
IUPAC Name6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C16H15F3N4O3/c17-16(18,19)26-13-4-2-1-3-11(13)20-15(24)12-5-6-14(22-21-12)23-7-9-25-10-8-23/h1-6H,7-10H2,(H,20,24)
InChIKeyDCLRQJVMNHODNW-UHFFFAOYSA-N
XLogP2.46
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (CID 121028180) is 6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)nn1.
What is the InChIKey of 6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The InChIKey is DCLRQJVMNHODNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O3/c17-16(18,19)26-13-4-2-1-3-11(13)20-15(24)12-5-6-14(22-21-12)23-7-9-25-10-8-23/h1-6H,7-10H2,(H,20,24).
What are the key properties of 6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide has a molecular weight of 368.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 121028180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).