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

C10H13N7O2 — CID 6492118

IUPAC6-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCN(C)c1nc(N)nc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C10H13N7O2/c1-16(2)9-12-8(11)13-10(14-9)19-6-4-5-7(18)17(3)15-6/h4-5H,1-3H3,(H2,11,12,13,14)
InChIKeyFYMJAMUSLIEEAA-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.59
Rot. Bonds3

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

6-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (PubChem CID 6492118) has the molecular formula C10H13N7O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
PubChem CID6492118
Molecular FormulaC10H13N7O2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name6-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCN(C)c1nc(N)nc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C10H13N7O2/c1-16(2)9-12-8(11)13-10(14-9)19-6-4-5-7(18)17(3)15-6/h4-5H,1-3H3,(H2,11,12,13,14)
InChIKeyFYMJAMUSLIEEAA-UHFFFAOYSA-N
XLogP-0.59
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (CID 6492118) is 6-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is CN(C)c1nc(N)nc(Oc2ccc(=O)n(C)n2)n1.
What is the InChIKey of 6-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The InChIKey is FYMJAMUSLIEEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O2/c1-16(2)9-12-8(11)13-10(14-9)19-6-4-5-7(18)17(3)15-6/h4-5H,1-3H3,(H2,11,12,13,14).
What are the key properties of 6-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
6-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one has a molecular weight of 263.26 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is sourced from PubChem (CID 6492118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).