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

C20H17F2N7O3S — CID 162723290

IUPAC3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylsulfonyl-3-pyridinyl)pyridazine
SMILESCc1nnn(-c2ccc(C(F)F)cn2)c1COc1ccc(-c2ccc(S(C)(=O)=O)nc2)nn1
InChIInChI=1S/C20H17F2N7O3S/c1-12-16(29(28-25-12)17-6-3-14(10-23-17)20(21)22)11-32-18-7-5-15(26-27-18)13-4-8-19(24-9-13)33(2,30)31/h3-10,20H,11H2,1-2H3
InChIKeyZQXNINCUQSEYKF-UHFFFAOYSA-N
MW473.47 g/mol
LogP2.74
Rot. Bonds7

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

3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylsulfonyl-3-pyridinyl)pyridazine (PubChem CID 162723290) has the molecular formula C20H17F2N7O3S and a molecular weight of 473.47 g/mol. Its IUPAC name is 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylsulfonyl-3-pyridinyl)pyridazine.

Molecular Properties

Compound Name3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylsulfonyl-3-pyridinyl)pyridazine
PubChem CID162723290
Molecular FormulaC20H17F2N7O3S
Molecular Weight473.47 g/mol
Exact Mass473.11
IUPAC Name3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylsulfonyl-3-pyridinyl)pyridazine
SMILESCc1nnn(-c2ccc(C(F)F)cn2)c1COc1ccc(-c2ccc(S(C)(=O)=O)nc2)nn1
InChIInChI=1S/C20H17F2N7O3S/c1-12-16(29(28-25-12)17-6-3-14(10-23-17)20(21)22)11-32-18-7-5-15(26-27-18)13-4-8-19(24-9-13)33(2,30)31/h3-10,20H,11H2,1-2H3
InChIKeyZQXNINCUQSEYKF-UHFFFAOYSA-N
XLogP2.74
TPSA125.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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-methylsulfonyl-3-pyridinyl)pyridazine?
The IUPAC name of 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylsulfonyl-3-pyridinyl)pyridazine (CID 162723290) is 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylsulfonyl-3-pyridinyl)pyridazine.
What is the SMILES notation for 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylsulfonyl-3-pyridinyl)pyridazine?
The canonical SMILES for 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylsulfonyl-3-pyridinyl)pyridazine is Cc1nnn(-c2ccc(C(F)F)cn2)c1COc1ccc(-c2ccc(S(C)(=O)=O)nc2)nn1.
What is the InChIKey of 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylsulfonyl-3-pyridinyl)pyridazine?
The InChIKey is ZQXNINCUQSEYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N7O3S/c1-12-16(29(28-25-12)17-6-3-14(10-23-17)20(21)22)11-32-18-7-5-15(26-27-18)13-4-8-19(24-9-13)33(2,30)31/h3-10,20H,11H2,1-2H3.
What are the key properties of 3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylsulfonyl-3-pyridinyl)pyridazine?
3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylsulfonyl-3-pyridinyl)pyridazine has a molecular weight of 473.47 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 10 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-methylsulfonyl-3-pyridinyl)pyridazine is sourced from PubChem (CID 162723290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).