5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione

C18H12Cl2N4O2 — CID 68688400

IUPAC5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione
SMILESCn1nc2c(=O)cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2c1=O
InChIInChI=1S/C18H12Cl2N4O2/c1-22-18(26)24-17(21-22)16(25)10-15(11-2-4-12(19)5-3-11)23(24)14-8-6-13(20)7-9-14/h2-10H,1H3
InChIKeyYUPGDXXEUCWWSX-UHFFFAOYSA-N
MW387.23 g/mol
LogP3.16
Rot. Bonds2

About 5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione

5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione (PubChem CID 68688400) has the molecular formula C18H12Cl2N4O2 and a molecular weight of 387.23 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione
PubChem CID68688400
Molecular FormulaC18H12Cl2N4O2
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione
SMILESCn1nc2c(=O)cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2c1=O
InChIInChI=1S/C18H12Cl2N4O2/c1-22-18(26)24-17(21-22)16(25)10-15(11-2-4-12(19)5-3-11)23(24)14-8-6-13(20)7-9-14/h2-10H,1H3
InChIKeyYUPGDXXEUCWWSX-UHFFFAOYSA-N
XLogP3.16
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione?
The IUPAC name of 5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione (CID 68688400) is 5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione is Cn1nc2c(=O)cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2c1=O.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione?
The InChIKey is YUPGDXXEUCWWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O2/c1-22-18(26)24-17(21-22)16(25)10-15(11-2-4-12(19)5-3-11)23(24)14-8-6-13(20)7-9-14/h2-10H,1H3.
What are the key properties of 5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione?
5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione has a molecular weight of 387.23 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione is sourced from PubChem (CID 68688400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).