9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione

C9H15N3O2S — CID 142767791

IUPAC9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione
SMILESCSN1C(=O)CN2CCCCC2(N)C1=O
InChIInChI=1S/C9H15N3O2S/c1-15-12-7(13)6-11-5-3-2-4-9(11,10)8(12)14/h2-6,10H2,1H3
InChIKeyBOFNFWQBUKWDFU-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.23
Rot. Bonds1

About 9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione

9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione (PubChem CID 142767791) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione
PubChem CID142767791
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione
SMILESCSN1C(=O)CN2CCCCC2(N)C1=O
InChIInChI=1S/C9H15N3O2S/c1-15-12-7(13)6-11-5-3-2-4-9(11,10)8(12)14/h2-6,10H2,1H3
InChIKeyBOFNFWQBUKWDFU-UHFFFAOYSA-N
XLogP-0.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione with MolForge

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Related Compounds

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CID 170411839
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CID 105242984

Frequently Asked Questions

What is the IUPAC name of 9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione?
The IUPAC name of 9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione (CID 142767791) is 9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione.
What is the SMILES notation for 9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione?
The canonical SMILES for 9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione is CSN1C(=O)CN2CCCCC2(N)C1=O.
What is the InChIKey of 9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione?
The InChIKey is BOFNFWQBUKWDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-15-12-7(13)6-11-5-3-2-4-9(11,10)8(12)14/h2-6,10H2,1H3.
What are the key properties of 9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione?
9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione has a molecular weight of 229.30 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione is sourced from PubChem (CID 142767791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).