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

C14H19N7O2 — CID 889337

IUPAC3-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCN(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H19N7O2/c1-20(2)12-15-13(21-8-4-3-5-9-21)17-14(16-12)23-11-7-6-10(22)18-19-11/h6-7H,3-5,8-9H2,1-2H3,(H,18,22)
InChIKeyQZGFAPJNGIPXNJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.80
Rot. Bonds4

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

3-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 889337) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID889337
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name3-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCN(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H19N7O2/c1-20(2)12-15-13(21-8-4-3-5-9-21)17-14(16-12)23-11-7-6-10(22)18-19-11/h6-7H,3-5,8-9H2,1-2H3,(H,18,22)
InChIKeyQZGFAPJNGIPXNJ-UHFFFAOYSA-N
XLogP0.80
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one with MolForge

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Related Compounds

6-{[4-(Dimethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}pyridazin-3-ol
CID 945843
3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one
CID 972407
6-[[4-(Dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
CID 1072271
6-{[4-(Ethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}-3-pyridazinol
CID 977155
6-{[4-(Ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}pyridazin-3-ol
CID 712231
6-(4,6-Di-piperidin-1-yl-[1,3,5]triazin-2-yloxy)-pyridazin-3-ol
CID 652461
6-{[4-(Dimethylamino)-6-(isobutylamino)-1,3,5-triazin-2-yl]oxy}-3-pyridazinol
CID 934717
6-(4-sec-Butylamino-6-ethylamino-[1,3,5]triazin-2-yloxy)-pyridazin-3-ol
CID 3155238
6-{[4-(Tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy}pyridazin-3-ol
CID 3403512
6-{[4-(Isobutylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}-3-pyridazinol
CID 970003
6-(4,6-Bis-ethylamino-[1,3,5]triazin-2-yloxy)-2-propyl-2H-pyridazin-3-one
CID 891235
6-{[4-(Diethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}-3-pyridazinol
CID 934828

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 889337) is 3-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is CN(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N2CCCCC2)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is QZGFAPJNGIPXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-20(2)12-15-13(21-8-4-3-5-9-21)17-14(16-12)23-11-7-6-10(22)18-19-11/h6-7H,3-5,8-9H2,1-2H3,(H,18,22).
What are the key properties of 3-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 317.35 g/mol, XLogP of 0.80, 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-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 889337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).