3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

C19H13F2N7OS — CID 22609887

IUPAC3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ncnc1COc1nn2c(-c3ccc(F)cc3F)nnc2cc1-c1cccs1
InChIInChI=1S/C19H13F2N7OS/c1-27-17(22-10-23-27)9-29-19-13(15-3-2-6-30-15)8-16-24-25-18(28(16)26-19)12-5-4-11(20)7-14(12)21/h2-8,10H,9H2,1H3
InChIKeyPMOYOUKCIIAAHL-UHFFFAOYSA-N
MW425.42 g/mol
LogP3.51
Rot. Bonds5

About 3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 22609887) has the molecular formula C19H13F2N7OS and a molecular weight of 425.42 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID22609887
Molecular FormulaC19H13F2N7OS
Molecular Weight425.42 g/mol
Exact Mass425.09
IUPAC Name3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ncnc1COc1nn2c(-c3ccc(F)cc3F)nnc2cc1-c1cccs1
InChIInChI=1S/C19H13F2N7OS/c1-27-17(22-10-23-27)9-29-19-13(15-3-2-6-30-15)8-16-24-25-18(28(16)26-19)12-5-4-11(20)7-14(12)21/h2-8,10H,9H2,1H3
InChIKeyPMOYOUKCIIAAHL-UHFFFAOYSA-N
XLogP3.51
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 22609887) is 3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is Cn1ncnc1COc1nn2c(-c3ccc(F)cc3F)nnc2cc1-c1cccs1.
What is the InChIKey of 3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is PMOYOUKCIIAAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N7OS/c1-27-17(22-10-23-27)9-29-19-13(15-3-2-6-30-15)8-16-24-25-18(28(16)26-19)12-5-4-11(20)7-14(12)21/h2-8,10H,9H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 425.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 22609887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).