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

C15H15ClN4 — CID 81440331

IUPAC6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccccc1Cc1nnc2c(C)c(C)c(Cl)nn12
InChIInChI=1S/C15H15ClN4/c1-9-6-4-5-7-12(9)8-13-17-18-15-11(3)10(2)14(16)19-20(13)15/h4-7H,8H2,1-3H3
InChIKeyCQJYRBGWTVFJTR-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.29
Rot. Bonds2

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

6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 81440331) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID81440331
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccccc1Cc1nnc2c(C)c(C)c(Cl)nn12
InChIInChI=1S/C15H15ClN4/c1-9-6-4-5-7-12(9)8-13-17-18-15-11(3)10(2)14(16)19-20(13)15/h4-7H,8H2,1-3H3
InChIKeyCQJYRBGWTVFJTR-UHFFFAOYSA-N
XLogP3.29
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 81440331) is 6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine is Cc1ccccc1Cc1nnc2c(C)c(C)c(Cl)nn12.
What is the InChIKey of 6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is CQJYRBGWTVFJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-9-6-4-5-7-12(9)8-13-17-18-15-11(3)10(2)14(16)19-20(13)15/h4-7H,8H2,1-3H3.
What are the key properties of 6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 286.77 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 81440331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).