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

C14H21N7O2 — CID 891235

IUPAC6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
SMILESCCCn1nc(Oc2nc(NCC)nc(NCC)n2)ccc1=O
InChIInChI=1S/C14H21N7O2/c1-4-9-21-11(22)8-7-10(20-21)23-14-18-12(15-5-2)17-13(19-14)16-6-3/h7-8H,4-6,9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyUEKDCUHVKVZWHA-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.49
Rot. Bonds8

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

6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one (PubChem CID 891235) has the molecular formula C14H21N7O2 and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
PubChem CID891235
Molecular FormulaC14H21N7O2
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC Name6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
SMILESCCCn1nc(Oc2nc(NCC)nc(NCC)n2)ccc1=O
InChIInChI=1S/C14H21N7O2/c1-4-9-21-11(22)8-7-10(20-21)23-14-18-12(15-5-2)17-13(19-14)16-6-3/h7-8H,4-6,9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyUEKDCUHVKVZWHA-UHFFFAOYSA-N
XLogP1.49
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.49
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-propylpyridazin-3-one?
The IUPAC name of 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one (CID 891235) is 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
The canonical SMILES for 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one is CCCn1nc(Oc2nc(NCC)nc(NCC)n2)ccc1=O.
What is the InChIKey of 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
The InChIKey is UEKDCUHVKVZWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2/c1-4-9-21-11(22)8-7-10(20-21)23-14-18-12(15-5-2)17-13(19-14)16-6-3/h7-8H,4-6,9H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
6-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one has a molecular weight of 319.37 g/mol, XLogP of 1.49, 8 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-propylpyridazin-3-one is sourced from PubChem (CID 891235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).