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

C13H19N7O2 — CID 934717

IUPAC3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCC(C)CNc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1
InChIInChI=1S/C13H19N7O2/c1-8(2)7-14-11-15-12(20(3)4)17-13(16-11)22-10-6-5-9(21)18-19-10/h5-6,8H,7H2,1-4H3,(H,18,21)(H,14,15,16,17)
InChIKeyBCFTXLJXDRKIFA-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.88
Rot. Bonds6

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

3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 934717) has the molecular formula C13H19N7O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID934717
Molecular FormulaC13H19N7O2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCC(C)CNc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1
InChIInChI=1S/C13H19N7O2/c1-8(2)7-14-11-15-12(20(3)4)17-13(16-11)22-10-6-5-9(21)18-19-10/h5-6,8H,7H2,1-4H3,(H,18,21)(H,14,15,16,17)
InChIKeyBCFTXLJXDRKIFA-UHFFFAOYSA-N
XLogP0.88
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 934717) is 3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is CC(C)CNc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is BCFTXLJXDRKIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O2/c1-8(2)7-14-11-15-12(20(3)4)17-13(16-11)22-10-6-5-9(21)18-19-10/h5-6,8H,7H2,1-4H3,(H,18,21)(H,14,15,16,17).
What are the key properties of 3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 305.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 934717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).