2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium

C18H27N6O2Y- — CID 164909080

IUPAC2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium
SMILESC1COCC[N-]1.CCC.Nc1ccc(/N=N/c2ccccc2O)c(N)n1.[Y]
InChIInChI=1S/C11H11N5O.C4H8NO.C3H8.Y/c12-10-6-5-8(11(13)14-10)16-15-7-3-1-2-4-9(7)17;1-3-6-4-2-5-1;1-3-2;/h1-6,17H,(H4,12,13,14);1-4H2;3H2,1-2H3;/q;-1;;/b16-15+;;;
InChIKeyQOSWDHHWCUAPOU-MOJNZBSRSA-N
MW448.36 g/mol
LogP4.17
Rot. Bonds2

About 2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium

2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium (PubChem CID 164909080) has the molecular formula C18H27N6O2Y- and a molecular weight of 448.36 g/mol. Its IUPAC name is 2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium.

Molecular Properties

Compound Name2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium
PubChem CID164909080
Molecular FormulaC18H27N6O2Y-
Molecular Weight448.36 g/mol
Exact Mass448.13
IUPAC Name2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium
SMILESC1COCC[N-]1.CCC.Nc1ccc(/N=N/c2ccccc2O)c(N)n1.[Y]
InChIInChI=1S/C11H11N5O.C4H8NO.C3H8.Y/c12-10-6-5-8(11(13)14-10)16-15-7-3-1-2-4-9(7)17;1-3-6-4-2-5-1;1-3-2;/h1-6,17H,(H4,12,13,14);1-4H2;3H2,1-2H3;/q;-1;;/b16-15+;;;
InChIKeyQOSWDHHWCUAPOU-MOJNZBSRSA-N
XLogP4.17
TPSA133.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.36
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium 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-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium?
The IUPAC name of 2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium (CID 164909080) is 2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium.
What is the SMILES notation for 2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium?
The canonical SMILES for 2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium is C1COCC[N-]1.CCC.Nc1ccc(/N=N/c2ccccc2O)c(N)n1.[Y].
What is the InChIKey of 2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium?
The InChIKey is QOSWDHHWCUAPOU-MOJNZBSRSA-N. The full InChI is InChI=1S/C11H11N5O.C4H8NO.C3H8.Y/c12-10-6-5-8(11(13)14-10)16-15-7-3-1-2-4-9(7)17;1-3-6-4-2-5-1;1-3-2;/h1-6,17H,(H4,12,13,14);1-4H2;3H2,1-2H3;/q;-1;;/b16-15+;;;.
What are the key properties of 2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium?
2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium has a molecular weight of 448.36 g/mol, XLogP of 4.17, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-diamino-3-pyridinyl)diazenyl]phenol;morpholin-4-ide;propane;yttrium is sourced from PubChem (CID 164909080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).