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

C20H19F2N5O2 — CID 167439016

IUPAC3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(3,6-dihydro-2H-pyran-5-yl)pyridazine
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(C2=CCCOC2)nn1
InChIInChI=1S/C20H19F2N5O2/c1-13-18(27(26-23-13)16-6-4-14(5-7-16)20(21)22)12-29-19-9-8-17(24-25-19)15-3-2-10-28-11-15/h3-9,20H,2,10-12H2,1H3
InChIKeyLPQKQRRPEUSFRL-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.69
Rot. Bonds6

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

3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(3,6-dihydro-2H-pyran-5-yl)pyridazine (PubChem CID 167439016) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(3,6-dihydro-2H-pyran-5-yl)pyridazine.

Molecular Properties

Compound Name3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(3,6-dihydro-2H-pyran-5-yl)pyridazine
PubChem CID167439016
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(3,6-dihydro-2H-pyran-5-yl)pyridazine
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(C2=CCCOC2)nn1
InChIInChI=1S/C20H19F2N5O2/c1-13-18(27(26-23-13)16-6-4-14(5-7-16)20(21)22)12-29-19-9-8-17(24-25-19)15-3-2-10-28-11-15/h3-9,20H,2,10-12H2,1H3
InChIKeyLPQKQRRPEUSFRL-UHFFFAOYSA-N
XLogP3.69
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.69
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-(3,6-dihydro-2H-pyran-5-yl)pyridazine?
The IUPAC name of 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(3,6-dihydro-2H-pyran-5-yl)pyridazine (CID 167439016) is 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(3,6-dihydro-2H-pyran-5-yl)pyridazine.
What is the SMILES notation for 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(3,6-dihydro-2H-pyran-5-yl)pyridazine?
The canonical SMILES for 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(3,6-dihydro-2H-pyran-5-yl)pyridazine is Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(C2=CCCOC2)nn1.
What is the InChIKey of 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(3,6-dihydro-2H-pyran-5-yl)pyridazine?
The InChIKey is LPQKQRRPEUSFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-13-18(27(26-23-13)16-6-4-14(5-7-16)20(21)22)12-29-19-9-8-17(24-25-19)15-3-2-10-28-11-15/h3-9,20H,2,10-12H2,1H3.
What are the key properties of 3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(3,6-dihydro-2H-pyran-5-yl)pyridazine?
3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-(3,6-dihydro-2H-pyran-5-yl)pyridazine has a molecular weight of 399.40 g/mol, XLogP of 3.69, 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-(3,6-dihydro-2H-pyran-5-yl)pyridazine is sourced from PubChem (CID 167439016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).