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

C13H18N6O3 — CID 892729

IUPAC6-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
SMILESCCCn1nc(Oc2nc(NCC)nc(OC)n2)ccc1=O
InChIInChI=1S/C13H18N6O3/c1-4-8-19-10(20)7-6-9(18-19)22-13-16-11(14-5-2)15-12(17-13)21-3/h6-7H,4-5,8H2,1-3H3,(H,14,15,16,17)
InChIKeyAKCVABIZDBKPHT-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.07
Rot. Bonds7

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

6-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one (PubChem CID 892729) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
PubChem CID892729
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC Name6-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
SMILESCCCn1nc(Oc2nc(NCC)nc(OC)n2)ccc1=O
InChIInChI=1S/C13H18N6O3/c1-4-8-19-10(20)7-6-9(18-19)22-13-16-11(14-5-2)15-12(17-13)21-3/h6-7H,4-5,8H2,1-3H3,(H,14,15,16,17)
InChIKeyAKCVABIZDBKPHT-UHFFFAOYSA-N
XLogP1.07
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
The IUPAC name of 6-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one (CID 892729) is 6-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
The canonical SMILES for 6-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one is CCCn1nc(Oc2nc(NCC)nc(OC)n2)ccc1=O.
What is the InChIKey of 6-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
The InChIKey is AKCVABIZDBKPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-4-8-19-10(20)7-6-9(18-19)22-13-16-11(14-5-2)15-12(17-13)21-3/h6-7H,4-5,8H2,1-3H3,(H,14,15,16,17).
What are the key properties of 6-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
6-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one has a molecular weight of 306.33 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one is sourced from PubChem (CID 892729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).