1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium

C6H8N3O2Y- — CID 157229001

IUPAC1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium
SMILESC=C1[N-]C(=O)N(C)C(=O)N1C.[Y]
InChIInChI=1S/C6H9N3O2.Y/c1-4-7-5(10)9(3)6(11)8(4)2;/h1H2,2-3H3,(H,7,10);/p-1
InChIKeyBEMIFADZHYJDSJ-UHFFFAOYSA-M
MW243.05 g/mol
LogP0.95
Rot. Bonds

About 1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium

1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium (PubChem CID 157229001) has the molecular formula C6H8N3O2Y- and a molecular weight of 243.05 g/mol. Its IUPAC name is 1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium.

Molecular Properties

Compound Name1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium
PubChem CID157229001
Molecular FormulaC6H8N3O2Y-
Molecular Weight243.05 g/mol
Exact Mass242.97
IUPAC Name1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium
SMILESC=C1[N-]C(=O)N(C)C(=O)N1C.[Y]
InChIInChI=1S/C6H9N3O2.Y/c1-4-7-5(10)9(3)6(11)8(4)2;/h1H2,2-3H3,(H,7,10);/p-1
InChIKeyBEMIFADZHYJDSJ-UHFFFAOYSA-M
XLogP0.95
TPSA54.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.05
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;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 1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium?
The IUPAC name of 1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium (CID 157229001) is 1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium.
What is the SMILES notation for 1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium?
The canonical SMILES for 1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium is C=C1[N-]C(=O)N(C)C(=O)N1C.[Y].
What is the InChIKey of 1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium?
The InChIKey is BEMIFADZHYJDSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9N3O2.Y/c1-4-7-5(10)9(3)6(11)8(4)2;/h1H2,2-3H3,(H,7,10);/p-1.
What are the key properties of 1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium?
1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium has a molecular weight of 243.05 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium is sourced from PubChem (CID 157229001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).