2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine

C16H17N7O2 — CID 2968970

IUPAC2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(Oc2ccc(OCc3ccccc3)nn2)n1
InChIInChI=1S/C16H17N7O2/c1-2-18-15-19-14(17)20-16(21-15)25-13-9-8-12(22-23-13)24-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H3,17,18,19,20,21)
InChIKeyONRQQTWBEMCQBF-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.05
Rot. Bonds7

About 2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine

2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine (PubChem CID 2968970) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine
PubChem CID2968970
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(Oc2ccc(OCc3ccccc3)nn2)n1
InChIInChI=1S/C16H17N7O2/c1-2-18-15-19-14(17)20-16(21-15)25-13-9-8-12(22-23-13)24-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H3,17,18,19,20,21)
InChIKeyONRQQTWBEMCQBF-UHFFFAOYSA-N
XLogP2.05
TPSA120.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine (CID 2968970) is 2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine is CCNc1nc(N)nc(Oc2ccc(OCc3ccccc3)nn2)n1.
What is the InChIKey of 2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine?
The InChIKey is ONRQQTWBEMCQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-2-18-15-19-14(17)20-16(21-15)25-13-9-8-12(22-23-13)24-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H3,17,18,19,20,21).
What are the key properties of 2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine?
2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine has a molecular weight of 339.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2968970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).