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

C14H12Cl2N4 — CID 81437855

IUPAC6-chloro-3-(3-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc(-c2nnc3c(C)c(C)c(Cl)nn23)cc1Cl
InChIInChI=1S/C14H12Cl2N4/c1-7-4-5-10(6-11(7)15)14-18-17-13-9(3)8(2)12(16)19-20(13)14/h4-6H,1-3H3
InChIKeyZEGXCIBWXULPIA-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.02
Rot. Bonds1

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

6-chloro-3-(3-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 81437855) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is 6-chloro-3-(3-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(3-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID81437855
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name6-chloro-3-(3-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc(-c2nnc3c(C)c(C)c(Cl)nn23)cc1Cl
InChIInChI=1S/C14H12Cl2N4/c1-7-4-5-10(6-11(7)15)14-18-17-13-9(3)8(2)12(16)19-20(13)14/h4-6H,1-3H3
InChIKeyZEGXCIBWXULPIA-UHFFFAOYSA-N
XLogP4.02
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(3-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 81437855) is 6-chloro-3-(3-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(3-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(3-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1ccc(-c2nnc3c(C)c(C)c(Cl)nn23)cc1Cl.
What is the InChIKey of 6-chloro-3-(3-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZEGXCIBWXULPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c1-7-4-5-10(6-11(7)15)14-18-17-13-9(3)8(2)12(16)19-20(13)14/h4-6H,1-3H3.
What are the key properties of 6-chloro-3-(3-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(3-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 307.18 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 81437855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).