2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

C12H18N4O3S — CID 86774804

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CN1CCn2ccnc2C1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H18N4O3S/c17-12(14-10-1-6-20(18,19)9-10)8-15-4-5-16-3-2-13-11(16)7-15/h2-3,10H,1,4-9H2,(H,14,17)
InChIKeyPCOPFFDCMCCPQW-UHFFFAOYSA-N
MW298.37 g/mol
LogP-1.00
Rot. Bonds3

About 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 86774804) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID86774804
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CN1CCn2ccnc2C1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H18N4O3S/c17-12(14-10-1-6-20(18,19)9-10)8-15-4-5-16-3-2-13-11(16)7-15/h2-3,10H,1,4-9H2,(H,14,17)
InChIKeyPCOPFFDCMCCPQW-UHFFFAOYSA-N
XLogP-1.00
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 86774804) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(CN1CCn2ccnc2C1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is PCOPFFDCMCCPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c17-12(14-10-1-6-20(18,19)9-10)8-15-4-5-16-3-2-13-11(16)7-15/h2-3,10H,1,4-9H2,(H,14,17).
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 298.37 g/mol, XLogP of -1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 86774804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).