4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol

C10H15N3O3S — CID 62407291

IUPAC4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(N2CCn3ccnc3C2)C1
InChIInChI=1S/C10H15N3O3S/c14-9-7-17(15,16)6-8(9)13-4-3-12-2-1-11-10(12)5-13/h1-2,8-9,14H,3-7H2
InChIKeyYWUMDNTYSFSWGV-UHFFFAOYSA-N
MW257.31 g/mol
LogP-1.14
Rot. Bonds1

About 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol

4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol (PubChem CID 62407291) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol
PubChem CID62407291
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(N2CCn3ccnc3C2)C1
InChIInChI=1S/C10H15N3O3S/c14-9-7-17(15,16)6-8(9)13-4-3-12-2-1-11-10(12)5-13/h1-2,8-9,14H,3-7H2
InChIKeyYWUMDNTYSFSWGV-UHFFFAOYSA-N
XLogP-1.14
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol (CID 62407291) is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(N2CCn3ccnc3C2)C1.
What is the InChIKey of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol?
The InChIKey is YWUMDNTYSFSWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c14-9-7-17(15,16)6-8(9)13-4-3-12-2-1-11-10(12)5-13/h1-2,8-9,14H,3-7H2.
What are the key properties of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol?
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol has a molecular weight of 257.31 g/mol, XLogP of -1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 62407291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).