3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine

C19H16F2N8O — CID 169049093

IUPAC3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine
SMILESCc1cc(-c2ccc(OCc3c(C)nnn3-c3ccc(C(F)F)cn3)nn2)cnn1
InChIInChI=1S/C19H16F2N8O/c1-11-7-14(9-23-24-11)15-4-6-18(27-26-15)30-10-16-12(2)25-28-29(16)17-5-3-13(8-22-17)19(20)21/h3-9,19H,10H2,1-2H3
InChIKeyYCJDUPJAIQRJJO-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.04
Rot. Bonds6

About 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine

3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine (PubChem CID 169049093) has the molecular formula C19H16F2N8O and a molecular weight of 410.39 g/mol. Its IUPAC name is 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine.

Molecular Properties

Compound Name3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine
PubChem CID169049093
Molecular FormulaC19H16F2N8O
Molecular Weight410.39 g/mol
Exact Mass410.14
IUPAC Name3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine
SMILESCc1cc(-c2ccc(OCc3c(C)nnn3-c3ccc(C(F)F)cn3)nn2)cnn1
InChIInChI=1S/C19H16F2N8O/c1-11-7-14(9-23-24-11)15-4-6-18(27-26-15)30-10-16-12(2)25-28-29(16)17-5-3-13(8-22-17)19(20)21/h3-9,19H,10H2,1-2H3
InChIKeyYCJDUPJAIQRJJO-UHFFFAOYSA-N
XLogP3.04
TPSA104.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine?
The IUPAC name of 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine (CID 169049093) is 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine.
What is the SMILES notation for 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine?
The canonical SMILES for 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine is Cc1cc(-c2ccc(OCc3c(C)nnn3-c3ccc(C(F)F)cn3)nn2)cnn1.
What is the InChIKey of 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine?
The InChIKey is YCJDUPJAIQRJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N8O/c1-11-7-14(9-23-24-11)15-4-6-18(27-26-15)30-10-16-12(2)25-28-29(16)17-5-3-13(8-22-17)19(20)21/h3-9,19H,10H2,1-2H3.
What are the key properties of 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine?
3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine has a molecular weight of 410.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine is sourced from PubChem (CID 169049093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).