(3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt

C12H20CoN2O2 — CID 144521521

IUPAC(3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt
SMILESCCC1(C)C(=O)N(C)C(=O)N(C(C)(C)C)C1=[Co]
InChIInChI=1S/C12H20N2O2.Co/c1-7-12(5)8-14(11(2,3)4)10(16)13(6)9(12)15;/h7H2,1-6H3;
InChIKeyHXSQARJBZOXNIY-UHFFFAOYSA-N
MW283.24 g/mol
LogP1.77
Rot. Bonds1

About (3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt

(3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt (PubChem CID 144521521) has the molecular formula C12H20CoN2O2 and a molecular weight of 283.24 g/mol. Its IUPAC name is (3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt.

Molecular Properties

Compound Name(3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt
PubChem CID144521521
Molecular FormulaC12H20CoN2O2
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC Name(3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt
SMILESCCC1(C)C(=O)N(C)C(=O)N(C(C)(C)C)C1=[Co]
InChIInChI=1S/C12H20N2O2.Co/c1-7-12(5)8-14(11(2,3)4)10(16)13(6)9(12)15;/h7H2,1-6H3;
InChIKeyHXSQARJBZOXNIY-UHFFFAOYSA-N
XLogP1.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt 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 (3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt?
The IUPAC name of (3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt (CID 144521521) is (3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt.
What is the SMILES notation for (3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt?
The canonical SMILES for (3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt is CCC1(C)C(=O)N(C)C(=O)N(C(C)(C)C)C1=[Co].
What is the InChIKey of (3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt?
The InChIKey is HXSQARJBZOXNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.Co/c1-7-12(5)8-14(11(2,3)4)10(16)13(6)9(12)15;/h7H2,1-6H3;.
What are the key properties of (3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt?
(3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt has a molecular weight of 283.24 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt is sourced from PubChem (CID 144521521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).