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

C12H17N7O2 — CID 714655

IUPAC6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1
InChIInChI=1S/C12H17N7O2/c1-17(2)10-13-11(18(3)4)15-12(14-10)21-8-6-7-9(20)19(5)16-8/h6-7H,1-5H3
InChIKeyYHEKNKGLNOUVHG-UHFFFAOYSA-N
MW291.32 g/mol
LogP-0.11
Rot. Bonds4

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

6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (PubChem CID 714655) has the molecular formula C12H17N7O2 and a molecular weight of 291.32 g/mol. Its IUPAC name is 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
PubChem CID714655
Molecular FormulaC12H17N7O2
Molecular Weight291.32 g/mol
Exact Mass291.14
IUPAC Name6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1
InChIInChI=1S/C12H17N7O2/c1-17(2)10-13-11(18(3)4)15-12(14-10)21-8-6-7-9(20)19(5)16-8/h6-7H,1-5H3
InChIKeyYHEKNKGLNOUVHG-UHFFFAOYSA-N
XLogP-0.11
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (CID 714655) is 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is CN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1.
What is the InChIKey of 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The InChIKey is YHEKNKGLNOUVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2/c1-17(2)10-13-11(18(3)4)15-12(14-10)21-8-6-7-9(20)19(5)16-8/h6-7H,1-5H3.
What are the key properties of 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one has a molecular weight of 291.32 g/mol, XLogP of -0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is sourced from PubChem (CID 714655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).