5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile

C15H16F3N7O — CID 155594586

IUPAC5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESC[C@H](CN(C)C)Oc1cc(Nc2cnc(C#N)cn2)nnc1C(F)(F)F
InChIInChI=1S/C15H16F3N7O/c1-9(8-25(2)3)26-11-4-12(23-24-14(11)15(16,17)18)22-13-7-20-10(5-19)6-21-13/h4,6-7,9H,8H2,1-3H3,(H,21,22,23)/t9-/m1/s1
InChIKeyJBJKIURSJGFBBR-SECBINFHSA-N
MW367.34 g/mol
LogP2.23
Rot. Bonds6

About 5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155594586) has the molecular formula C15H16F3N7O and a molecular weight of 367.34 g/mol. Its IUPAC name is 5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155594586
Molecular FormulaC15H16F3N7O
Molecular Weight367.34 g/mol
Exact Mass367.14
IUPAC Name5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESC[C@H](CN(C)C)Oc1cc(Nc2cnc(C#N)cn2)nnc1C(F)(F)F
InChIInChI=1S/C15H16F3N7O/c1-9(8-25(2)3)26-11-4-12(23-24-14(11)15(16,17)18)22-13-7-20-10(5-19)6-21-13/h4,6-7,9H,8H2,1-3H3,(H,21,22,23)/t9-/m1/s1
InChIKeyJBJKIURSJGFBBR-SECBINFHSA-N
XLogP2.23
TPSA99.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155594586) is 5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is C[C@H](CN(C)C)Oc1cc(Nc2cnc(C#N)cn2)nnc1C(F)(F)F.
What is the InChIKey of 5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is JBJKIURSJGFBBR-SECBINFHSA-N. The full InChI is InChI=1S/C15H16F3N7O/c1-9(8-25(2)3)26-11-4-12(23-24-14(11)15(16,17)18)22-13-7-20-10(5-19)6-21-13/h4,6-7,9H,8H2,1-3H3,(H,21,22,23)/t9-/m1/s1.
What are the key properties of 5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 367.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155594586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).