2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine

C18H21N7O3 — CID 27396193

IUPAC2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1OCCOc1ccc(Oc2nc(N)nc(N(C)C)n2)nn1
InChIInChI=1S/C18H21N7O3/c1-12-6-4-5-7-13(12)26-10-11-27-14-8-9-15(24-23-14)28-18-21-16(19)20-17(22-18)25(2)3/h4-9H,10-11H2,1-3H3,(H2,19,20,21,22)
InChIKeyMXQLYKQWFOGJTM-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.87
Rot. Bonds8

About 2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine (PubChem CID 27396193) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
PubChem CID27396193
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1OCCOc1ccc(Oc2nc(N)nc(N(C)C)n2)nn1
InChIInChI=1S/C18H21N7O3/c1-12-6-4-5-7-13(12)26-10-11-27-14-8-9-15(24-23-14)28-18-21-16(19)20-17(22-18)25(2)3/h4-9H,10-11H2,1-3H3,(H2,19,20,21,22)
InChIKeyMXQLYKQWFOGJTM-UHFFFAOYSA-N
XLogP1.87
TPSA121.40 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
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-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine (CID 27396193) is 2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine is Cc1ccccc1OCCOc1ccc(Oc2nc(N)nc(N(C)C)n2)nn1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine?
The InChIKey is MXQLYKQWFOGJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-12-6-4-5-7-13(12)26-10-11-27-14-8-9-15(24-23-14)28-18-21-16(19)20-17(22-18)25(2)3/h4-9H,10-11H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine has a molecular weight of 383.41 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 27396193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).