1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+)

C16H13N2O2Y+2 — CID 20579853

IUPAC1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+)
SMILES[CH2-]Nc1ccc(NC)c2c1C(=O)c1ccccc1C2=O.[Y+3]
InChIInChI=1S/C16H13N2O2.Y/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20;/h3-8,17-18H,1H2,2H3;/q-1;+3
InChIKeyKRPRMGYOQBPBFK-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.70
Rot. Bonds2

About 1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+)

1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+) (PubChem CID 20579853) has the molecular formula C16H13N2O2Y+2 and a molecular weight of 354.20 g/mol. Its IUPAC name is 1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+).

Molecular Properties

Compound Name1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+)
PubChem CID20579853
Molecular FormulaC16H13N2O2Y+2
Molecular Weight354.20 g/mol
Exact Mass354.00
IUPAC Name1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+)
SMILES[CH2-]Nc1ccc(NC)c2c1C(=O)c1ccccc1C2=O.[Y+3]
InChIInChI=1S/C16H13N2O2.Y/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20;/h3-8,17-18H,1H2,2H3;/q-1;+3
InChIKeyKRPRMGYOQBPBFK-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+)?
The IUPAC name of 1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+) (CID 20579853) is 1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+).
What is the SMILES notation for 1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+)?
The canonical SMILES for 1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+) is [CH2-]Nc1ccc(NC)c2c1C(=O)c1ccccc1C2=O.[Y+3].
What is the InChIKey of 1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+)?
The InChIKey is KRPRMGYOQBPBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2O2.Y/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20;/h3-8,17-18H,1H2,2H3;/q-1;+3.
What are the key properties of 1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+)?
1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+) has a molecular weight of 354.20 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methanidylamino)-4-(methylamino)anthracene-9,10-dione;yttrium(3+) is sourced from PubChem (CID 20579853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).