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

C17H13ClN6O — CID 8892435

IUPAC4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCc2nnc3ccccn23)cnn1-c1ccccc1
InChIInChI=1S/C17H13ClN6O/c18-16-13(10-20-24(17(16)25)12-6-2-1-3-7-12)19-11-15-22-21-14-8-4-5-9-23(14)15/h1-10,19H,11H2
InChIKeyOZICEWZUKMINIZ-UHFFFAOYSA-N
MW352.79 g/mol
LogP2.54
Rot. Bonds4

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

4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one (PubChem CID 8892435) has the molecular formula C17H13ClN6O and a molecular weight of 352.79 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one
PubChem CID8892435
Molecular FormulaC17H13ClN6O
Molecular Weight352.79 g/mol
Exact Mass352.08
IUPAC Name4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCc2nnc3ccccn23)cnn1-c1ccccc1
InChIInChI=1S/C17H13ClN6O/c18-16-13(10-20-24(17(16)25)12-6-2-1-3-7-12)19-11-15-22-21-14-8-4-5-9-23(14)15/h1-10,19H,11H2
InChIKeyOZICEWZUKMINIZ-UHFFFAOYSA-N
XLogP2.54
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one
CID 56585215
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one
CID 18291225
4-chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-phenylpyridazin-3-one
CID 133332334
4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one
CID 133309689
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
CID 9172583
4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one
CID 133472201
5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one
CID 17489044
4-chloro-2-phenyl-5-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazin-3-one
CID 55830941
4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430645
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-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one (CID 8892435) is 4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one is O=c1c(Cl)c(NCc2nnc3ccccn23)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one?
The InChIKey is OZICEWZUKMINIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O/c18-16-13(10-20-24(17(16)25)12-6-2-1-3-7-12)19-11-15-22-21-14-8-4-5-9-23(14)15/h1-10,19H,11H2.
What are the key properties of 4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one?
4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one has a molecular weight of 352.79 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 8892435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).