3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

C9H9ClN6O2 — CID 709801

IUPAC3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCN(C)c1nc(Cl)nc(Oc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C9H9ClN6O2/c1-16(2)8-11-7(10)12-9(13-8)18-6-4-3-5(17)14-15-6/h3-4H,1-2H3,(H,14,17)
InChIKeyFILSXCOFNJBSPZ-UHFFFAOYSA-N
MW268.66 g/mol
LogP0.47
Rot. Bonds3

About 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 709801) has the molecular formula C9H9ClN6O2 and a molecular weight of 268.66 g/mol. Its IUPAC name is 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID709801
Molecular FormulaC9H9ClN6O2
Molecular Weight268.66 g/mol
Exact Mass268.05
IUPAC Name3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCN(C)c1nc(Cl)nc(Oc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C9H9ClN6O2/c1-16(2)8-11-7(10)12-9(13-8)18-6-4-3-5(17)14-15-6/h3-4H,1-2H3,(H,14,17)
InChIKeyFILSXCOFNJBSPZ-UHFFFAOYSA-N
XLogP0.47
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[4-(Dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
CID 892863
6-({4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl}oxy)pyridazin-3(2H)-one
CID 939372
6-{[4-(Ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}pyridazin-3-ol
CID 712231
6-{[4-(Dimethylamino)-6-(methylsulfanyl)-1,3,5-triazin-2-yl]oxy}pyridazin-3-ol
CID 659943
6-{[4-(Dimethylamino)-6-(isobutylamino)-1,3,5-triazin-2-yl]oxy}-3-pyridazinol
CID 934717
6-(4-sec-Butylamino-6-ethylamino-[1,3,5]triazin-2-yloxy)-pyridazin-3-ol
CID 3155238
6-{[4-(Butylamino)-6-(dimethylamino)-1,3,5-triazin-2-YL]oxy}-2-methyl-2,3-dihydropyridazin-3-one
CID 2989074
6-{[4-(Butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy}pyridazin-3-ol
CID 16013733
6-{[4-(Dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}-3-pyridazinol
CID 703980
6-{4,6-Bis[(methylethyl)amino]-1,3,5-triazin-2-yloxy}pyridazin-3-ol
CID 713455
3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
CID 716808
6-((4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl)oxy)-2-methylpyridazin-3(2H)-one
CID 752336

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 709801) is 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is CN(C)c1nc(Cl)nc(Oc2ccc(=O)[nH]n2)n1.
What is the InChIKey of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is FILSXCOFNJBSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN6O2/c1-16(2)8-11-7(10)12-9(13-8)18-6-4-3-5(17)14-15-6/h3-4H,1-2H3,(H,14,17).
What are the key properties of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 268.66 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 709801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).