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

C10H11ClN6O2 — CID 933057

IUPAC6-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCN(C)c1nc(Cl)nc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C10H11ClN6O2/c1-16(2)9-12-8(11)13-10(14-9)19-6-4-5-7(18)17(3)15-6/h4-5H,1-3H3
InChIKeyIJAVRANFLYUCKJ-UHFFFAOYSA-N
MW282.69 g/mol
LogP0.48
Rot. Bonds3

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

6-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (PubChem CID 933057) has the molecular formula C10H11ClN6O2 and a molecular weight of 282.69 g/mol. Its IUPAC name is 6-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
PubChem CID933057
Molecular FormulaC10H11ClN6O2
Molecular Weight282.69 g/mol
Exact Mass282.06
IUPAC Name6-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCN(C)c1nc(Cl)nc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C10H11ClN6O2/c1-16(2)9-12-8(11)13-10(14-9)19-6-4-5-7(18)17(3)15-6/h4-5H,1-3H3
InChIKeyIJAVRANFLYUCKJ-UHFFFAOYSA-N
XLogP0.48
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (CID 933057) is 6-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is CN(C)c1nc(Cl)nc(Oc2ccc(=O)n(C)n2)n1.
What is the InChIKey of 6-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The InChIKey is IJAVRANFLYUCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O2/c1-16(2)9-12-8(11)13-10(14-9)19-6-4-5-7(18)17(3)15-6/h4-5H,1-3H3.
What are the key properties of 6-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
6-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one has a molecular weight of 282.69 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is sourced from PubChem (CID 933057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).