1,3-dihydroimidazo[4,5-b]pyrazin-2-one

C10H8N8O2 — CID 68856140

IUPAC1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nccnc2[nH]1.O=c1[nH]c2nccnc2[nH]1
InChIInChI=1S/2C5H4N4O/c2*10-5-8-3-4(9-5)7-2-1-6-3/h2*1-2H,(H2,6,7,8,9,10)
InChIKeyYRBFLRJJXXGYKJ-UHFFFAOYSA-N
MW272.23 g/mol
LogP-0.71
Rot. Bonds

About 1,3-dihydroimidazo[4,5-b]pyrazin-2-one

1,3-dihydroimidazo[4,5-b]pyrazin-2-one (PubChem CID 68856140) has the molecular formula C10H8N8O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 1,3-dihydroimidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name1,3-dihydroimidazo[4,5-b]pyrazin-2-one
PubChem CID68856140
Molecular FormulaC10H8N8O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nccnc2[nH]1.O=c1[nH]c2nccnc2[nH]1
InChIInChI=1S/2C5H4N4O/c2*10-5-8-3-4(9-5)7-2-1-6-3/h2*1-2H,(H2,6,7,8,9,10)
InChIKeyYRBFLRJJXXGYKJ-UHFFFAOYSA-N
XLogP-0.71
TPSA148.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 1,3-dihydroimidazo[4,5-b]pyrazin-2-one (CID 68856140) is 1,3-dihydroimidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 1,3-dihydroimidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2nccnc2[nH]1.O=c1[nH]c2nccnc2[nH]1.
What is the InChIKey of 1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The InChIKey is YRBFLRJJXXGYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4N4O/c2*10-5-8-3-4(9-5)7-2-1-6-3/h2*1-2H,(H2,6,7,8,9,10).
What are the key properties of 1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
1,3-dihydroimidazo[4,5-b]pyrazin-2-one has a molecular weight of 272.23 g/mol, XLogP of -0.71, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroimidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 68856140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).