6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

C12H9ClN4 — CID 12726827

IUPAC6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C12H9ClN4/c1-8-14-15-12-6-5-11(16-17(8)12)9-3-2-4-10(13)7-9/h2-7H,1H3
InChIKeyINXUWDAPOGPMQO-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.75
Rot. Bonds1

About 6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 12726827) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID12726827
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C12H9ClN4/c1-8-14-15-12-6-5-11(16-17(8)12)9-3-2-4-10(13)7-9/h2-7H,1H3
InChIKeyINXUWDAPOGPMQO-UHFFFAOYSA-N
XLogP2.75
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 12726827) is 6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2ccc(-c3cccc(Cl)c3)nn12.
What is the InChIKey of 6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is INXUWDAPOGPMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c1-8-14-15-12-6-5-11(16-17(8)12)9-3-2-4-10(13)7-9/h2-7H,1H3.
What are the key properties of 6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 244.69 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 12726827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).