7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C24H15Cl2N7O2 — CID 59716853

IUPAC7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2cc(Cn3nc4c(-c5ccc(Cl)cc5)c(-c5ccc(Cl)cc5)cnn4c3=O)ccn12
InChIInChI=1S/C24H15Cl2N7O2/c25-17-5-1-15(2-6-17)19-12-27-33-22(21(19)16-3-7-18(26)8-4-16)30-32(24(33)35)13-14-9-10-31-20(11-14)28-29-23(31)34/h1-12H,13H2,(H,29,34)
InChIKeyLIJLZFOQHOAKHV-UHFFFAOYSA-N
MW504.34 g/mol
LogP3.92
Rot. Bonds4

About 7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one

7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 59716853) has the molecular formula C24H15Cl2N7O2 and a molecular weight of 504.34 g/mol. Its IUPAC name is 7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID59716853
Molecular FormulaC24H15Cl2N7O2
Molecular Weight504.34 g/mol
Exact Mass503.07
IUPAC Name7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2cc(Cn3nc4c(-c5ccc(Cl)cc5)c(-c5ccc(Cl)cc5)cnn4c3=O)ccn12
InChIInChI=1S/C24H15Cl2N7O2/c25-17-5-1-15(2-6-17)19-12-27-33-22(21(19)16-3-7-18(26)8-4-16)30-32(24(33)35)13-14-9-10-31-20(11-14)28-29-23(31)34/h1-12H,13H2,(H,29,34)
InChIKeyLIJLZFOQHOAKHV-UHFFFAOYSA-N
XLogP3.92
TPSA102.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Related Compounds

7,8-bis(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11988882
7,8-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716793
7,8-bis(4-chlorophenyl)-2-[(4-phenylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11990330
7-(4-chlorophenyl)-8-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716916
7,8-bis(4-chlorophenyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716828
7-(4-chlorophenyl)-8-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11988751
4-[[7-(4-chlorophenyl)-3-oxo-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]methyl]benzonitrile
CID 11989872
7,8-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716854
4-[8-(4-chlorophenyl)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]benzoic acid
CID 59716887
N-[4-[[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]methyl]phenyl]sulfonylacetamide
CID 59716845
2-methylpropyl 4-[[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]methyl]benzoate
CID 59716777
8-(4-chlorophenyl)-7-pyridin-3-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716811

Frequently Asked Questions

What is the IUPAC name of 7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 59716853) is 7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2cc(Cn3nc4c(-c5ccc(Cl)cc5)c(-c5ccc(Cl)cc5)cnn4c3=O)ccn12.
What is the InChIKey of 7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is LIJLZFOQHOAKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2N7O2/c25-17-5-1-15(2-6-17)19-12-27-33-22(21(19)16-3-7-18(26)8-4-16)30-32(24(33)35)13-14-9-10-31-20(11-14)28-29-23(31)34/h1-12H,13H2,(H,29,34).
What are the key properties of 7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 504.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 59716853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).