6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

C18H21N7O2 — CID 2978782

IUPAC6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Oc2nc(Nc3ccc(C)cc3)nc(N(C)C)n2)nn1
InChIInChI=1S/C18H21N7O2/c1-5-26-14-10-11-15(24-23-14)27-18-21-16(20-17(22-18)25(3)4)19-13-8-6-12(2)7-9-13/h6-11H,5H2,1-4H3,(H,19,20,21,22)
InChIKeyCARZJCPXLFDJSG-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.97
Rot. Bonds7

About 6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2978782) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2978782
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Oc2nc(Nc3ccc(C)cc3)nc(N(C)C)n2)nn1
InChIInChI=1S/C18H21N7O2/c1-5-26-14-10-11-15(24-23-14)27-18-21-16(20-17(22-18)25(3)4)19-13-8-6-12(2)7-9-13/h6-11H,5H2,1-4H3,(H,19,20,21,22)
InChIKeyCARZJCPXLFDJSG-UHFFFAOYSA-N
XLogP2.97
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 2978782) is 6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is CCOc1ccc(Oc2nc(Nc3ccc(C)cc3)nc(N(C)C)n2)nn1.
What is the InChIKey of 6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CARZJCPXLFDJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-5-26-14-10-11-15(24-23-14)27-18-21-16(20-17(22-18)25(3)4)19-13-8-6-12(2)7-9-13/h6-11H,5H2,1-4H3,(H,19,20,21,22).
What are the key properties of 6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 367.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethoxypyridazin-3-yl)oxy-2-N,2-N-dimethyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2978782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).