6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one

C15H21N7O2 — CID 42562949

IUPAC6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(Oc2nc(NC3CC3)nc(N(C)C)n2)ccc1=O
InChIInChI=1S/C15H21N7O2/c1-9(2)22-12(23)8-7-11(20-22)24-15-18-13(16-10-5-6-10)17-14(19-15)21(3)4/h7-10H,5-6H2,1-4H3,(H,16,17,18,19)
InChIKeyBMRNYORCZSRBEA-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.44
Rot. Bonds6

About 6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one

6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one (PubChem CID 42562949) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one
PubChem CID42562949
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(Oc2nc(NC3CC3)nc(N(C)C)n2)ccc1=O
InChIInChI=1S/C15H21N7O2/c1-9(2)22-12(23)8-7-11(20-22)24-15-18-13(16-10-5-6-10)17-14(19-15)21(3)4/h7-10H,5-6H2,1-4H3,(H,16,17,18,19)
InChIKeyBMRNYORCZSRBEA-UHFFFAOYSA-N
XLogP1.44
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one (CID 42562949) is 6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(Oc2nc(NC3CC3)nc(N(C)C)n2)ccc1=O.
What is the InChIKey of 6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one?
The InChIKey is BMRNYORCZSRBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-9(2)22-12(23)8-7-11(20-22)24-15-18-13(16-10-5-6-10)17-14(19-15)21(3)4/h7-10H,5-6H2,1-4H3,(H,16,17,18,19).
What are the key properties of 6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one?
6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one has a molecular weight of 331.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(cyclopropylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 42562949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).