6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine

C20H18F2N8O — CID 162723322

IUPAC6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine
SMILESCNc1cccc(-c2ccc(OCc3c(C)nnn3-c3ccc(C(F)F)cn3)nn2)n1
InChIInChI=1S/C20H18F2N8O/c1-12-16(30(29-26-12)18-8-6-13(10-24-18)20(21)22)11-31-19-9-7-15(27-28-19)14-4-3-5-17(23-2)25-14/h3-10,20H,11H2,1-2H3,(H,23,25)
InChIKeyVRIHFKFSDRMYIX-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.38
Rot. Bonds7

About 6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine

6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine (PubChem CID 162723322) has the molecular formula C20H18F2N8O and a molecular weight of 424.42 g/mol. Its IUPAC name is 6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine
PubChem CID162723322
Molecular FormulaC20H18F2N8O
Molecular Weight424.42 g/mol
Exact Mass424.16
IUPAC Name6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine
SMILESCNc1cccc(-c2ccc(OCc3c(C)nnn3-c3ccc(C(F)F)cn3)nn2)n1
InChIInChI=1S/C20H18F2N8O/c1-12-16(30(29-26-12)18-8-6-13(10-24-18)20(21)22)11-31-19-9-7-15(27-28-19)14-4-3-5-17(23-2)25-14/h3-10,20H,11H2,1-2H3,(H,23,25)
InChIKeyVRIHFKFSDRMYIX-UHFFFAOYSA-N
XLogP3.38
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine?
The IUPAC name of 6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine (CID 162723322) is 6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine is CNc1cccc(-c2ccc(OCc3c(C)nnn3-c3ccc(C(F)F)cn3)nn2)n1.
What is the InChIKey of 6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine?
The InChIKey is VRIHFKFSDRMYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N8O/c1-12-16(30(29-26-12)18-8-6-13(10-24-18)20(21)22)11-31-19-9-7-15(27-28-19)14-4-3-5-17(23-2)25-14/h3-10,20H,11H2,1-2H3,(H,23,25).
What are the key properties of 6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine?
6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine has a molecular weight of 424.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 162723322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).