[(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate

C15H9N5O3 — CID 76577934

IUPAC[(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate
SMILESCC(=O)ON=C1c2ccccc2-c2nc(C(N)=O)c(C#N)nc21
InChIInChI=1S/C15H9N5O3/c1-7(21)23-20-12-9-5-3-2-4-8(9)11-14(12)18-10(6-16)13(19-11)15(17)22/h2-5H,1H3,(H2,17,22)
InChIKeyVVGSGPJBUSTUQH-UHFFFAOYSA-N
MW307.27 g/mol
LogP0.74
Rot. Bonds2

About [(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate

[(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate (PubChem CID 76577934) has the molecular formula C15H9N5O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is [(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate.

Molecular Properties

Compound Name[(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate
PubChem CID76577934
Molecular FormulaC15H9N5O3
Molecular Weight307.27 g/mol
Exact Mass307.07
IUPAC Name[(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate
SMILESCC(=O)ON=C1c2ccccc2-c2nc(C(N)=O)c(C#N)nc21
InChIInChI=1S/C15H9N5O3/c1-7(21)23-20-12-9-5-3-2-4-8(9)11-14(12)18-10(6-16)13(19-11)15(17)22/h2-5H,1H3,(H2,17,22)
InChIKeyVVGSGPJBUSTUQH-UHFFFAOYSA-N
XLogP0.74
TPSA131.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate 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-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate?
The IUPAC name of [(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate (CID 76577934) is [(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate.
What is the SMILES notation for [(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate?
The canonical SMILES for [(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate is CC(=O)ON=C1c2ccccc2-c2nc(C(N)=O)c(C#N)nc21.
What is the InChIKey of [(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate?
The InChIKey is VVGSGPJBUSTUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5O3/c1-7(21)23-20-12-9-5-3-2-4-8(9)11-14(12)18-10(6-16)13(19-11)15(17)22/h2-5H,1H3,(H2,17,22).
What are the key properties of [(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate?
[(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate has a molecular weight of 307.27 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate is sourced from PubChem (CID 76577934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).