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

C10H13N7O2 — CID 23607035

IUPAC3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCNc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1
InChIInChI=1S/C10H13N7O2/c1-11-8-12-9(17(2)3)14-10(13-8)19-7-5-4-6(18)15-16-7/h4-5H,1-3H3,(H,15,18)(H,11,12,13,14)
InChIKeyOUSUFPSALFISEB-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.15
Rot. Bonds4

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

3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 23607035) has the molecular formula C10H13N7O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID23607035
Molecular FormulaC10H13N7O2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCNc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1
InChIInChI=1S/C10H13N7O2/c1-11-8-12-9(17(2)3)14-10(13-8)19-7-5-4-6(18)15-16-7/h4-5H,1-3H3,(H,15,18)(H,11,12,13,14)
InChIKeyOUSUFPSALFISEB-UHFFFAOYSA-N
XLogP-0.15
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.15
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-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 23607035) is 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is CNc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is OUSUFPSALFISEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O2/c1-11-8-12-9(17(2)3)14-10(13-8)19-7-5-4-6(18)15-16-7/h4-5H,1-3H3,(H,15,18)(H,11,12,13,14).
What are the key properties of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 263.26 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 23607035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).