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

C11H14N6O3 — CID 892863

IUPAC6-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCOc1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1
InChIInChI=1S/C11H14N6O3/c1-16(2)9-12-10(19-4)14-11(13-9)20-7-5-6-8(18)17(3)15-7/h5-6H,1-4H3
InChIKeyCSORLNQBRPRFEN-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.17
Rot. Bonds4

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

6-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (PubChem CID 892863) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 6-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
PubChem CID892863
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name6-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCOc1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1
InChIInChI=1S/C11H14N6O3/c1-16(2)9-12-10(19-4)14-11(13-9)20-7-5-6-8(18)17(3)15-7/h5-6H,1-4H3
InChIKeyCSORLNQBRPRFEN-UHFFFAOYSA-N
XLogP-0.17
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (CID 892863) is 6-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is COc1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1.
What is the InChIKey of 6-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The InChIKey is CSORLNQBRPRFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-16(2)9-12-10(19-4)14-11(13-9)20-7-5-6-8(18)17(3)15-7/h5-6H,1-4H3.
What are the key properties of 6-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
6-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one has a molecular weight of 278.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is sourced from PubChem (CID 892863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).