5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one

C7H6N4O2 — CID 57061588

IUPAC5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one
SMILESO=c1[nH]c(O)cn1-c1cnccn1
InChIInChI=1S/C7H6N4O2/c12-6-4-11(7(13)10-6)5-3-8-1-2-9-5/h1-4,12H,(H,10,13)
InChIKeyVQDFBLVZSQFKDO-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.34
Rot. Bonds1

About 5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one

5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one (PubChem CID 57061588) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one
PubChem CID57061588
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one
SMILESO=c1[nH]c(O)cn1-c1cnccn1
InChIInChI=1S/C7H6N4O2/c12-6-4-11(7(13)10-6)5-3-8-1-2-9-5/h1-4,12H,(H,10,13)
InChIKeyVQDFBLVZSQFKDO-UHFFFAOYSA-N
XLogP-0.34
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one?
The IUPAC name of 5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one (CID 57061588) is 5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one?
The canonical SMILES for 5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one is O=c1[nH]c(O)cn1-c1cnccn1.
What is the InChIKey of 5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one?
The InChIKey is VQDFBLVZSQFKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c12-6-4-11(7(13)10-6)5-3-8-1-2-9-5/h1-4,12H,(H,10,13).
What are the key properties of 5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one?
5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one has a molecular weight of 178.15 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-pyrazin-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 57061588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).