2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine

C17H19N7O3 — CID 2970046

IUPAC2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1
InChIInChI=1S/C17H19N7O3/c1-2-19-16-20-15(18)21-17(22-16)27-14-9-8-13(23-24-14)26-11-10-25-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H3,18,19,20,21,22)
InChIKeyNVSJUYNCZWCLQC-UHFFFAOYSA-N
MW369.39 g/mol
LogP1.93
Rot. Bonds9

About 2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine

2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine (PubChem CID 2970046) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
PubChem CID2970046
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Name2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1
InChIInChI=1S/C17H19N7O3/c1-2-19-16-20-15(18)21-17(22-16)27-14-9-8-13(23-24-14)26-11-10-25-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H3,18,19,20,21,22)
InChIKeyNVSJUYNCZWCLQC-UHFFFAOYSA-N
XLogP1.93
TPSA130.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine (CID 2970046) is 2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine is CCNc1nc(N)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1.
What is the InChIKey of 2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine?
The InChIKey is NVSJUYNCZWCLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-2-19-16-20-15(18)21-17(22-16)27-14-9-8-13(23-24-14)26-11-10-25-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine?
2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine has a molecular weight of 369.39 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2970046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).