N-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine

C13H18N6O3 — CID 2946464

IUPACN-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine
SMILESCCCOc1ccc(Oc2nc(NCC)nc(OC)n2)nn1
InChIInChI=1S/C13H18N6O3/c1-4-8-21-9-6-7-10(19-18-9)22-13-16-11(14-5-2)15-12(17-13)20-3/h6-7H,4-5,8H2,1-3H3,(H,14,15,16,17)
InChIKeyIAFHFCKXZBOKOX-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.68
Rot. Bonds8

About N-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine

N-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine (PubChem CID 2946464) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine
PubChem CID2946464
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC NameN-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine
SMILESCCCOc1ccc(Oc2nc(NCC)nc(OC)n2)nn1
InChIInChI=1S/C13H18N6O3/c1-4-8-21-9-6-7-10(19-18-9)22-13-16-11(14-5-2)15-12(17-13)20-3/h6-7H,4-5,8H2,1-3H3,(H,14,15,16,17)
InChIKeyIAFHFCKXZBOKOX-UHFFFAOYSA-N
XLogP1.68
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-N-ethyl-2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
CID 2938024
N-ethyl-4-methoxy-6-(2-propoxyphenyl)-1,3,5-triazin-2-amine
CID 104663162
6-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
CID 892729
2-N-[(2R)-butan-2-yl]-6-(6-ethoxypyridazin-3-yl)oxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 6401711
4-methoxy-N-methyl-6-(2-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80867250
3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80866003
4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide
CID 80874835
N-ethyl-4-methoxy-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
CID 80882368
N-ethyl-4-methoxy-6-(4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80865175
4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80879229
4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 82010193
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine (CID 2946464) is N-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine is CCCOc1ccc(Oc2nc(NCC)nc(OC)n2)nn1.
What is the InChIKey of N-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine?
The InChIKey is IAFHFCKXZBOKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-4-8-21-9-6-7-10(19-18-9)22-13-16-11(14-5-2)15-12(17-13)20-3/h6-7H,4-5,8H2,1-3H3,(H,14,15,16,17).
What are the key properties of N-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine?
N-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine has a molecular weight of 306.33 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-6-(6-propoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 2946464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).