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

C11H15N7O3 — CID 939372

IUPAC3-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCON(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1
InChIInChI=1S/C11H15N7O3/c1-17(2)9-12-10(18(3)20-4)14-11(13-9)21-8-6-5-7(19)15-16-8/h5-6H,1-4H3,(H,15,19)
InChIKeyBEWORRMEYOOQIN-UHFFFAOYSA-N
MW293.29 g/mol
LogP-0.19
Rot. Bonds5

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

3-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 939372) has the molecular formula C11H15N7O3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID939372
Molecular FormulaC11H15N7O3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name3-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCON(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1
InChIInChI=1S/C11H15N7O3/c1-17(2)9-12-10(18(3)20-4)14-11(13-9)21-8-6-5-7(19)15-16-8/h5-6H,1-4H3,(H,15,19)
InChIKeyBEWORRMEYOOQIN-UHFFFAOYSA-N
XLogP-0.19
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 939372) is 3-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is CON(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is BEWORRMEYOOQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O3/c1-17(2)9-12-10(18(3)20-4)14-11(13-9)21-8-6-5-7(19)15-16-8/h5-6H,1-4H3,(H,15,19).
What are the key properties of 3-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 293.29 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 939372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).