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

C12H17N7O2 — CID 752336

IUPAC6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCCNc1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1
InChIInChI=1S/C12H17N7O2/c1-5-13-10-14-11(18(2)3)16-12(15-10)21-8-6-7-9(20)19(4)17-8/h6-7H,5H2,1-4H3,(H,13,14,15,16)
InChIKeyRSQWNXZIVQSOFF-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.26
Rot. Bonds5

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

6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (PubChem CID 752336) has the molecular formula C12H17N7O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
PubChem CID752336
Molecular FormulaC12H17N7O2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCCNc1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1
InChIInChI=1S/C12H17N7O2/c1-5-13-10-14-11(18(2)3)16-12(15-10)21-8-6-7-9(20)19(4)17-8/h6-7H,5H2,1-4H3,(H,13,14,15,16)
InChIKeyRSQWNXZIVQSOFF-UHFFFAOYSA-N
XLogP0.26
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (CID 752336) is 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is CCNc1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1.
What is the InChIKey of 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The InChIKey is RSQWNXZIVQSOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2/c1-5-13-10-14-11(18(2)3)16-12(15-10)21-8-6-7-9(20)19(4)17-8/h6-7H,5H2,1-4H3,(H,13,14,15,16).
What are the key properties of 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one has a molecular weight of 291.31 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is sourced from PubChem (CID 752336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).