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

C14H21N7O2 — CID 671565

IUPAC6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
SMILESCCCn1nc(Oc2nc(N(C)C)nc(N(C)C)n2)ccc1=O
InChIInChI=1S/C14H21N7O2/c1-6-9-21-11(22)8-7-10(18-21)23-14-16-12(19(2)3)15-13(17-14)20(4)5/h7-8H,6,9H2,1-5H3
InChIKeyAGPGTSNKFTYINC-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.76
Rot. Bonds6

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

6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one (PubChem CID 671565) has the molecular formula C14H21N7O2 and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
PubChem CID671565
Molecular FormulaC14H21N7O2
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC Name6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
SMILESCCCn1nc(Oc2nc(N(C)C)nc(N(C)C)n2)ccc1=O
InChIInChI=1S/C14H21N7O2/c1-6-9-21-11(22)8-7-10(18-21)23-14-16-12(19(2)3)15-13(17-14)20(4)5/h7-8H,6,9H2,1-5H3
InChIKeyAGPGTSNKFTYINC-UHFFFAOYSA-N
XLogP0.76
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
The IUPAC name of 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one (CID 671565) is 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
The canonical SMILES for 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one is CCCn1nc(Oc2nc(N(C)C)nc(N(C)C)n2)ccc1=O.
What is the InChIKey of 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
The InChIKey is AGPGTSNKFTYINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2/c1-6-9-21-11(22)8-7-10(18-21)23-14-16-12(19(2)3)15-13(17-14)20(4)5/h7-8H,6,9H2,1-5H3.
What are the key properties of 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one has a molecular weight of 319.37 g/mol, XLogP of 0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one is sourced from PubChem (CID 671565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).