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

C13H19N7O2 — CID 27260930

IUPAC6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyridazin-3-one
SMILESCCNc1nc(NCC)nc(Oc2ccc(=O)n(CC)n2)n1
InChIInChI=1S/C13H19N7O2/c1-4-14-11-16-12(15-5-2)18-13(17-11)22-9-7-8-10(21)20(6-3)19-9/h7-8H,4-6H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyGAGYBQBBSUHQGT-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.10
Rot. Bonds7

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

6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyridazin-3-one (PubChem CID 27260930) has the molecular formula C13H19N7O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyridazin-3-one
PubChem CID27260930
Molecular FormulaC13H19N7O2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyridazin-3-one
SMILESCCNc1nc(NCC)nc(Oc2ccc(=O)n(CC)n2)n1
InChIInChI=1S/C13H19N7O2/c1-4-14-11-16-12(15-5-2)18-13(17-11)22-9-7-8-10(21)20(6-3)19-9/h7-8H,4-6H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyGAGYBQBBSUHQGT-UHFFFAOYSA-N
XLogP1.10
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyridazin-3-one?
The IUPAC name of 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyridazin-3-one (CID 27260930) is 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyridazin-3-one?
The canonical SMILES for 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyridazin-3-one is CCNc1nc(NCC)nc(Oc2ccc(=O)n(CC)n2)n1.
What is the InChIKey of 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyridazin-3-one?
The InChIKey is GAGYBQBBSUHQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O2/c1-4-14-11-16-12(15-5-2)18-13(17-11)22-9-7-8-10(21)20(6-3)19-9/h7-8H,4-6H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyridazin-3-one?
6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyridazin-3-one has a molecular weight of 305.34 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyridazin-3-one is sourced from PubChem (CID 27260930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).