3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

C10H12N6O3 — CID 703980

IUPAC3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCOc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1
InChIInChI=1S/C10H12N6O3/c1-16(2)8-11-9(18-3)13-10(12-8)19-7-5-4-6(17)14-15-7/h4-5H,1-3H3,(H,14,17)
InChIKeyZEGRPCDBRRFTTJ-UHFFFAOYSA-N
MW264.25 g/mol
LogP-0.18
Rot. Bonds4

About 3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 703980) has the molecular formula C10H12N6O3 and a molecular weight of 264.25 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID703980
Molecular FormulaC10H12N6O3
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC Name3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCOc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1
InChIInChI=1S/C10H12N6O3/c1-16(2)8-11-9(18-3)13-10(12-8)19-7-5-4-6(17)14-15-7/h4-5H,1-3H3,(H,14,17)
InChIKeyZEGRPCDBRRFTTJ-UHFFFAOYSA-N
XLogP-0.18
TPSA106.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 703980) is 3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is COc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is ZEGRPCDBRRFTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-16(2)8-11-9(18-3)13-10(12-8)19-7-5-4-6(17)14-15-7/h4-5H,1-3H3,(H,14,17).
What are the key properties of 3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 264.25 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 703980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).