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

C19H23N7O3 — CID 2920561

IUPAC2-N,2-N,4-N,4-N-tetramethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Oc2ccc(OCCOc3ccccc3)nn2)nc(N(C)C)n1
InChIInChI=1S/C19H23N7O3/c1-25(2)17-20-18(26(3)4)22-19(21-17)29-16-11-10-15(23-24-16)28-13-12-27-14-8-6-5-7-9-14/h5-11H,12-13H2,1-4H3
InChIKeyVDZGNVUUGINURY-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.04
Rot. Bonds9

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

2-N,2-N,4-N,4-N-tetramethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine (PubChem CID 2920561) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetramethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetramethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
PubChem CID2920561
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name2-N,2-N,4-N,4-N-tetramethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Oc2ccc(OCCOc3ccccc3)nn2)nc(N(C)C)n1
InChIInChI=1S/C19H23N7O3/c1-25(2)17-20-18(26(3)4)22-19(21-17)29-16-11-10-15(23-24-16)28-13-12-27-14-8-6-5-7-9-14/h5-11H,12-13H2,1-4H3
InChIKeyVDZGNVUUGINURY-UHFFFAOYSA-N
XLogP2.04
TPSA98.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.04
H-Bond Donors ≤ 50
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,2-N,4-N,4-N-tetramethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetramethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine (CID 2920561) is 2-N,2-N,4-N,4-N-tetramethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetramethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetramethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Oc2ccc(OCCOc3ccccc3)nn2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetramethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine?
The InChIKey is VDZGNVUUGINURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-25(2)17-20-18(26(3)4)22-19(21-17)29-16-11-10-15(23-24-16)28-13-12-27-14-8-6-5-7-9-14/h5-11H,12-13H2,1-4H3.
What are the key properties of 2-N,2-N,4-N,4-N-tetramethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N,4-N-tetramethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine has a molecular weight of 397.44 g/mol, XLogP of 2.04, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetramethyl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2920561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).