4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one

C20H18F2N6O2 — CID 167438877

IUPAC4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(C2=CC(=O)NCC2)nn1
InChIInChI=1S/C20H18F2N6O2/c1-12-17(28(27-24-12)15-4-2-13(3-5-15)20(21)22)11-30-19-7-6-16(25-26-19)14-8-9-23-18(29)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,23,29)
InChIKeyNWFHMPLOPGRHRN-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.79
Rot. Bonds6

About 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one

4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one (PubChem CID 167438877) has the molecular formula C20H18F2N6O2 and a molecular weight of 412.40 g/mol. Its IUPAC name is 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one
PubChem CID167438877
Molecular FormulaC20H18F2N6O2
Molecular Weight412.40 g/mol
Exact Mass412.15
IUPAC Name4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(C2=CC(=O)NCC2)nn1
InChIInChI=1S/C20H18F2N6O2/c1-12-17(28(27-24-12)15-4-2-13(3-5-15)20(21)22)11-30-19-7-6-16(25-26-19)14-8-9-23-18(29)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,23,29)
InChIKeyNWFHMPLOPGRHRN-UHFFFAOYSA-N
XLogP2.79
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one (CID 167438877) is 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one is Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(C2=CC(=O)NCC2)nn1.
What is the InChIKey of 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is NWFHMPLOPGRHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O2/c1-12-17(28(27-24-12)15-4-2-13(3-5-15)20(21)22)11-30-19-7-6-16(25-26-19)14-8-9-23-18(29)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,23,29).
What are the key properties of 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one?
4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 412.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 167438877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).