6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C20H16F2N4O3S — CID 134516589

IUPAC6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccc(F)cc2F)nn2c(C)nnc12
InChIInChI=1S/C20H16F2N4O3S/c1-11-8-17(25-26-12(2)23-24-20(11)26)15-10-14(30(3,27)28)5-7-18(15)29-19-6-4-13(21)9-16(19)22/h4-10H,1-3H3
InChIKeyWLAJNQWVULRHGZ-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.88
Rot. Bonds4

About 6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134516589) has the molecular formula C20H16F2N4O3S and a molecular weight of 430.44 g/mol. Its IUPAC name is 6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134516589
Molecular FormulaC20H16F2N4O3S
Molecular Weight430.44 g/mol
Exact Mass430.09
IUPAC Name6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccc(F)cc2F)nn2c(C)nnc12
InChIInChI=1S/C20H16F2N4O3S/c1-11-8-17(25-26-12(2)23-24-20(11)26)15-10-14(30(3,27)28)5-7-18(15)29-19-6-4-13(21)9-16(19)22/h4-10H,1-3H3
InChIKeyWLAJNQWVULRHGZ-UHFFFAOYSA-N
XLogP3.88
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

N-[4-(2,4-difluorophenoxy)-3-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide
CID 134516421
6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 134516418
5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole
CID 139699329
1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene
CID 118022172
N-[4-(2,4-difluorophenoxy)-3-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]ethanesulfonamide
CID 134516559
4-(2,4-difluorophenoxy)-3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-propan-2-ylaniline;propane
CID 142345382
4-(2,4-difluorophenoxy)-3-(8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline
CID 134516562
4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine
CID 141105687
N-[4-(2,4-difluorophenoxy)-3-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]ethanesulfonamide
CID 155679987
ethyl N-[6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]carbamate
CID 134516299
3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117451531
N-[4-(2,4-difluorophenoxy)-3-[8-[(2-hydroxy-2-methylpropyl)amino]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]ethanesulfonamide
CID 134516413

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 134516589) is 6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccc(F)cc2F)nn2c(C)nnc12.
What is the InChIKey of 6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WLAJNQWVULRHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O3S/c1-11-8-17(25-26-12(2)23-24-20(11)26)15-10-14(30(3,27)28)5-7-18(15)29-19-6-4-13(21)9-16(19)22/h4-10H,1-3H3.
What are the key properties of 6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 430.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134516589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).