5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine

C15H17F3N8O2 — CID 155595066

IUPAC5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine
SMILESC1COCCN1.CNc1cc(Nc2cnc(C#N)cn2)nnc1OC(F)(F)F
InChIInChI=1S/C11H8F3N7O.C4H9NO/c1-16-7-2-8(20-21-10(7)22-11(12,13)14)19-9-5-17-6(3-15)4-18-9;1-3-6-4-2-5-1/h2,4-5H,1H3,(H2,16,18,19,20);5H,1-4H2
InChIKeyUYAPQAXLDDSEQC-UHFFFAOYSA-N
MW398.35 g/mol
LogP1.43
Rot. Bonds4

About 5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine

5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine (PubChem CID 155595066) has the molecular formula C15H17F3N8O2 and a molecular weight of 398.35 g/mol. Its IUPAC name is 5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine.

Molecular Properties

Compound Name5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine
PubChem CID155595066
Molecular FormulaC15H17F3N8O2
Molecular Weight398.35 g/mol
Exact Mass398.14
IUPAC Name5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine
SMILESC1COCCN1.CNc1cc(Nc2cnc(C#N)cn2)nnc1OC(F)(F)F
InChIInChI=1S/C11H8F3N7O.C4H9NO/c1-16-7-2-8(20-21-10(7)22-11(12,13)14)19-9-5-17-6(3-15)4-18-9;1-3-6-4-2-5-1/h2,4-5H,1H3,(H2,16,18,19,20);5H,1-4H2
InChIKeyUYAPQAXLDDSEQC-UHFFFAOYSA-N
XLogP1.43
TPSA129.90 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.35
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine 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 5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine?
The IUPAC name of 5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine (CID 155595066) is 5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine.
What is the SMILES notation for 5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine?
The canonical SMILES for 5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine is C1COCCN1.CNc1cc(Nc2cnc(C#N)cn2)nnc1OC(F)(F)F.
What is the InChIKey of 5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine?
The InChIKey is UYAPQAXLDDSEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N7O.C4H9NO/c1-16-7-2-8(20-21-10(7)22-11(12,13)14)19-9-5-17-6(3-15)4-18-9;1-3-6-4-2-5-1/h2,4-5H,1H3,(H2,16,18,19,20);5H,1-4H2.
What are the key properties of 5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine?
5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine has a molecular weight of 398.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(methylamino)-6-(trifluoromethoxy)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;morpholine is sourced from PubChem (CID 155595066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).