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

C19H15ClN4O — CID 139227350

IUPAC6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2nnc3cc(-c4ccc(C)cc4)c(Cl)nn23)cc1
InChIInChI=1S/C19H15ClN4O/c1-12-3-5-13(6-4-12)16-11-17-21-22-19(24(17)23-18(16)20)14-7-9-15(25-2)10-8-14/h3-11H,1-2H3
InChIKeyHFSQSRWFPNMGHS-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.43
Rot. Bonds3

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

6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 139227350) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID139227350
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2nnc3cc(-c4ccc(C)cc4)c(Cl)nn23)cc1
InChIInChI=1S/C19H15ClN4O/c1-12-3-5-13(6-4-12)16-11-17-21-22-19(24(17)23-18(16)20)14-7-9-15(25-2)10-8-14/h3-11H,1-2H3
InChIKeyHFSQSRWFPNMGHS-UHFFFAOYSA-N
XLogP4.43
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 712689
[6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane
CID 172561393
1-(4-methoxyphenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]ethanone
CID 7118196
2,4,5-trichloro-N-[2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]benzenesulfonamide
CID 121059266
3-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 929794
6,7-bis(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4204890
1-(113C)methoxy-4-methylbenzene
CID 166176950
2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetic acid
CID 43935741
2,4-dichloro-5-(4-methoxyphenyl)pyrimidine
CID 19735441
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
8-chloro-5-(4-methoxyphenyl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
CID 86678114
6-(chloromethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 176898539

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 139227350) is 6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(-c2nnc3cc(-c4ccc(C)cc4)c(Cl)nn23)cc1.
What is the InChIKey of 6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HFSQSRWFPNMGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-12-3-5-13(6-4-12)16-11-17-21-22-19(24(17)23-18(16)20)14-7-9-15(25-2)10-8-14/h3-11H,1-2H3.
What are the key properties of 6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 350.81 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 139227350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).