4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one

C17H11Cl3N6O — CID 56585215

IUPAC4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(NCc2nnc3ccccn23)c(Cl)c1
InChIInChI=1S/C17H11Cl3N6O/c18-11-7-10(26-17(27)16(20)12(19)8-22-26)4-5-13(11)21-9-15-24-23-14-3-1-2-6-25(14)15/h1-8,21H,9H2
InChIKeyCFDUVVMWETWCBJ-UHFFFAOYSA-N
MW421.68 g/mol
LogP3.85
Rot. Bonds4

About 4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one

4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one (PubChem CID 56585215) has the molecular formula C17H11Cl3N6O and a molecular weight of 421.68 g/mol. Its IUPAC name is 4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one
PubChem CID56585215
Molecular FormulaC17H11Cl3N6O
Molecular Weight421.68 g/mol
Exact Mass420.01
IUPAC Name4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(NCc2nnc3ccccn23)c(Cl)c1
InChIInChI=1S/C17H11Cl3N6O/c18-11-7-10(26-17(27)16(20)12(19)8-22-26)4-5-13(11)21-9-15-24-23-14-3-1-2-6-25(14)15/h1-8,21H,9H2
InChIKeyCFDUVVMWETWCBJ-UHFFFAOYSA-N
XLogP3.85
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.68
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one
CID 8892435
4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one
CID 133329815
4,5-dichloro-2-[3-chloro-4-(1-methylsulfanylpropan-2-ylamino)phenyl]pyridazin-3-one
CID 133311873
4,5-dichloro-2-[3-chloro-4-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]phenyl]pyridazin-3-one
CID 52676662
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 39277335
4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 135106778
3-chloro-4-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282558
3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 66484521
4,5-dichloro-2-pyridin-3-ylpyridazin-3-one
CID 130501966
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111581041
6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 9021014
4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
CID 133280925

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one (CID 56585215) is 4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccc(NCc2nnc3ccccn23)c(Cl)c1.
What is the InChIKey of 4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one?
The InChIKey is CFDUVVMWETWCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N6O/c18-11-7-10(26-17(27)16(20)12(19)8-22-26)4-5-13(11)21-9-15-24-23-14-3-1-2-6-25(14)15/h1-8,21H,9H2.
What are the key properties of 4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one?
4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one has a molecular weight of 421.68 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one is sourced from PubChem (CID 56585215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).