3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine

C19H16F2N6O — CID 159674099

IUPAC3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(C2=CC=NC2)nn1
InChIInChI=1S/C19H16F2N6O/c1-12-17(27(26-23-12)15-4-2-13(3-5-15)19(20)21)11-28-18-7-6-16(24-25-18)14-8-9-22-10-14/h2-9,19H,10-11H2,1H3
InChIKeyMUJJIECCKGRCBL-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.35
Rot. Bonds6

About 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine

3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine (PubChem CID 159674099) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine.

Molecular Properties

Compound Name3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine
PubChem CID159674099
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC Name3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(C2=CC=NC2)nn1
InChIInChI=1S/C19H16F2N6O/c1-12-17(27(26-23-12)15-4-2-13(3-5-15)19(20)21)11-28-18-7-6-16(24-25-18)14-8-9-22-10-14/h2-9,19H,10-11H2,1H3
InChIKeyMUJJIECCKGRCBL-UHFFFAOYSA-N
XLogP3.35
TPSA78.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine?
The IUPAC name of 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine (CID 159674099) is 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine.
What is the SMILES notation for 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine?
The canonical SMILES for 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine is Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(C2=CC=NC2)nn1.
What is the InChIKey of 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine?
The InChIKey is MUJJIECCKGRCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c1-12-17(27(26-23-12)15-4-2-13(3-5-15)19(20)21)11-28-18-7-6-16(24-25-18)14-8-9-22-10-14/h2-9,19H,10-11H2,1H3.
What are the key properties of 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine?
3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine has a molecular weight of 382.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(2H-pyrrol-3-yl)pyridazine is sourced from PubChem (CID 159674099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).