8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine

C24H16ClF3N6O — CID 11990170

IUPAC8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nc(C(F)(F)F)ccc1COc1nn2cnnc2c(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C24H16ClF3N6O/c1-14-17(4-7-19(31-14)24(26,27)28)12-35-23-21(16-8-10-29-11-9-16)20(15-2-5-18(25)6-3-15)22-32-30-13-34(22)33-23/h2-11,13H,12H2,1H3
InChIKeyRMFDFQUWJHGYEA-UHFFFAOYSA-N
MW496.88 g/mol
LogP5.81
Rot. Bonds5

About 8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine

8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 11990170) has the molecular formula C24H16ClF3N6O and a molecular weight of 496.88 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID11990170
Molecular FormulaC24H16ClF3N6O
Molecular Weight496.88 g/mol
Exact Mass496.10
IUPAC Name8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nc(C(F)(F)F)ccc1COc1nn2cnnc2c(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C24H16ClF3N6O/c1-14-17(4-7-19(31-14)24(26,27)28)12-35-23-21(16-8-10-29-11-9-16)20(15-2-5-18(25)6-3-15)22-32-30-13-34(22)33-23/h2-11,13H,12H2,1H3
InChIKeyRMFDFQUWJHGYEA-UHFFFAOYSA-N
XLogP5.81
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.88
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 11990170) is 8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nc(C(F)(F)F)ccc1COc1nn2cnnc2c(-c2ccc(Cl)cc2)c1-c1ccncc1.
What is the InChIKey of 8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RMFDFQUWJHGYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N6O/c1-14-17(4-7-19(31-14)24(26,27)28)12-35-23-21(16-8-10-29-11-9-16)20(15-2-5-18(25)6-3-15)22-32-30-13-34(22)33-23/h2-11,13H,12H2,1H3.
What are the key properties of 8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 496.88 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-7-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 11990170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).