6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C14H12ClFN4O — CID 81442160

IUPAC6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2nnc3c(C)c(C)c(Cl)nn23)cc1F
InChIInChI=1S/C14H12ClFN4O/c1-7-8(2)13-17-18-14(20(13)19-12(7)15)9-4-5-11(21-3)10(16)6-9/h4-6H,1-3H3
InChIKeyLOKNUKWHSLHRJU-UHFFFAOYSA-N
MW306.73 g/mol
LogP3.21
Rot. Bonds2

About 6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 81442160) has the molecular formula C14H12ClFN4O and a molecular weight of 306.73 g/mol. Its IUPAC name is 6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID81442160
Molecular FormulaC14H12ClFN4O
Molecular Weight306.73 g/mol
Exact Mass306.07
IUPAC Name6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2nnc3c(C)c(C)c(Cl)nn23)cc1F
InChIInChI=1S/C14H12ClFN4O/c1-7-8(2)13-17-18-14(20(13)19-12(7)15)9-4-5-11(21-3)10(16)6-9/h4-6H,1-3H3
InChIKeyLOKNUKWHSLHRJU-UHFFFAOYSA-N
XLogP3.21
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 81442095
5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine
CID 116823316
5-(3-fluoro-4-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556948
4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 105371106
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
4-chloro-2-(3-fluoro-4-methoxyphenyl)-5-iodo-6-methylpyrimidine
CID 66312624
6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 712689
3-(3-chloropropylsulfanyl)-5-(3-fluoro-4-methoxyphenyl)-4-methyl-1,2,4-triazole
CID 91757406
2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)aniline
CID 82167264
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494
5-chloro-2-(3-fluoro-4-methoxyphenyl)aniline
CID 81274573
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 81442160) is 6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(-c2nnc3c(C)c(C)c(Cl)nn23)cc1F.
What is the InChIKey of 6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LOKNUKWHSLHRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4O/c1-7-8(2)13-17-18-14(20(13)19-12(7)15)9-4-5-11(21-3)10(16)6-9/h4-6H,1-3H3.
What are the key properties of 6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 306.73 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 81442160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).