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

C14H21N7O2 — CID 2989074

IUPAC6-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCCCCNc1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1
InChIInChI=1S/C14H21N7O2/c1-5-6-9-15-12-16-13(20(2)3)18-14(17-12)23-10-7-8-11(22)21(4)19-10/h7-8H,5-6,9H2,1-4H3,(H,15,16,17,18)
InChIKeyGUXJLLXOUFKPIB-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.04
Rot. Bonds7

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

6-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (PubChem CID 2989074) has the molecular formula C14H21N7O2 and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
PubChem CID2989074
Molecular FormulaC14H21N7O2
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC Name6-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCCCCNc1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1
InChIInChI=1S/C14H21N7O2/c1-5-6-9-15-12-16-13(20(2)3)18-14(17-12)23-10-7-8-11(22)21(4)19-10/h7-8H,5-6,9H2,1-4H3,(H,15,16,17,18)
InChIKeyGUXJLLXOUFKPIB-UHFFFAOYSA-N
XLogP1.04
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (CID 2989074) is 6-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is CCCCNc1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1.
What is the InChIKey of 6-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The InChIKey is GUXJLLXOUFKPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2/c1-5-6-9-15-12-16-13(20(2)3)18-14(17-12)23-10-7-8-11(22)21(4)19-10/h7-8H,5-6,9H2,1-4H3,(H,15,16,17,18).
What are the key properties of 6-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
6-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one has a molecular weight of 319.37 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is sourced from PubChem (CID 2989074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).