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

C11H15N7O2 — CID 716808

IUPAC3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCCNc1nc(NCC)nc(Oc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C11H15N7O2/c1-3-12-9-14-10(13-4-2)16-11(15-9)20-8-6-5-7(19)17-18-8/h5-6H,3-4H2,1-2H3,(H,17,19)(H2,12,13,14,15,16)
InChIKeyZGIAHBOYWAOLTL-UHFFFAOYSA-N
MW277.29 g/mol
LogP0.61
Rot. Bonds6

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

3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 716808) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID716808
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCCNc1nc(NCC)nc(Oc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C11H15N7O2/c1-3-12-9-14-10(13-4-2)16-11(15-9)20-8-6-5-7(19)17-18-8/h5-6H,3-4H2,1-2H3,(H,17,19)(H2,12,13,14,15,16)
InChIKeyZGIAHBOYWAOLTL-UHFFFAOYSA-N
XLogP0.61
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 716808) is 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is CCNc1nc(NCC)nc(Oc2ccc(=O)[nH]n2)n1.
What is the InChIKey of 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is ZGIAHBOYWAOLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-3-12-9-14-10(13-4-2)16-11(15-9)20-8-6-5-7(19)17-18-8/h5-6H,3-4H2,1-2H3,(H,17,19)(H2,12,13,14,15,16).
What are the key properties of 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 277.29 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 716808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).