but-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine

C15H15N5O4S — CID 70514362

IUPACbut-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine
SMILESCn1ccnc1CSc1nccn2ccnc12.O=C(O)C=CC(=O)O
InChIInChI=1S/C11H11N5S.C4H4O4/c1-15-5-2-12-9(15)8-17-11-10-13-3-6-16(10)7-4-14-11;5-3(6)1-2-4(7)8/h2-7H,8H2,1H3;1-2H,(H,5,6)(H,7,8)
InChIKeyVFPHVSRQXXJCIR-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.47
Rot. Bonds5

About but-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine

but-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine (PubChem CID 70514362) has the molecular formula C15H15N5O4S and a molecular weight of 361.38 g/mol. Its IUPAC name is but-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Namebut-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine
PubChem CID70514362
Molecular FormulaC15H15N5O4S
Molecular Weight361.38 g/mol
Exact Mass361.08
IUPAC Namebut-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine
SMILESCn1ccnc1CSc1nccn2ccnc12.O=C(O)C=CC(=O)O
InChIInChI=1S/C11H11N5S.C4H4O4/c1-15-5-2-12-9(15)8-17-11-10-13-3-6-16(10)7-4-14-11;5-3(6)1-2-4(7)8/h2-7H,8H2,1H3;1-2H,(H,5,6)(H,7,8)
InChIKeyVFPHVSRQXXJCIR-UHFFFAOYSA-N
XLogP1.47
TPSA122.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze but-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine 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 but-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine?
The IUPAC name of but-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine (CID 70514362) is but-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for but-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for but-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine is Cn1ccnc1CSc1nccn2ccnc12.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine?
The InChIKey is VFPHVSRQXXJCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S.C4H4O4/c1-15-5-2-12-9(15)8-17-11-10-13-3-6-16(10)7-4-14-11;5-3(6)1-2-4(7)8/h2-7H,8H2,1H3;1-2H,(H,5,6)(H,7,8).
What are the key properties of but-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine?
but-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine has a molecular weight of 361.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;8-[(1-methylimidazol-2-yl)methylsulfanyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 70514362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).