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

C5H6N4O — CID 166091300

IUPAC1,3-dihydroimidazo[4,5-b]pyrazin-2-one;molecular hydrogen
SMILESO=c1[nH]c2nccnc2[nH]1.[H][H]
InChIInChI=1S/C5H4N4O.H2/c10-5-8-3-4(9-5)7-2-1-6-3;/h1-2H,(H2,6,7,8,9,10);1H
InChIKeyCBJUTIZKNHQUJJ-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.11
Rot. Bonds

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

1,3-dihydroimidazo[4,5-b]pyrazin-2-one;molecular hydrogen (PubChem CID 166091300) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;molecular hydrogen.

Molecular Properties

Compound Name1,3-dihydroimidazo[4,5-b]pyrazin-2-one;molecular hydrogen
PubChem CID166091300
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name1,3-dihydroimidazo[4,5-b]pyrazin-2-one;molecular hydrogen
SMILESO=c1[nH]c2nccnc2[nH]1.[H][H]
InChIInChI=1S/C5H4N4O.H2/c10-5-8-3-4(9-5)7-2-1-6-3;/h1-2H,(H2,6,7,8,9,10);1H
InChIKeyCBJUTIZKNHQUJJ-UHFFFAOYSA-N
XLogP-0.11
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrazin-2-ylacetamide
CID 350679
imidazo[1,2-a][1,3,5]triazine-2,4(1H,3H)-dione
CID 11019049
3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 66864122
1,3-Dihydro-2h-imidazo[4,5-b]pyrazin-2-one
CID 279243
1-methyl-1H,2H,3H-imidazo(4,5-b)pyrazin-2-one
CID 66865200
5-bromo-1H,2H,3H-imidazo[4,5-b]pyrazin-2-one
CID 70700300
5-chloro-1,3-dihydro-2H-imidazo(4,5-b)pyrazin-2-one
CID 25085716
N-pyrazin-2-ylformamide
CID 12924252
1-(Pyrazin-2-yl)urea
CID 13033268
1,3-dimethyl-2H-imidazo[4,5-b]pyrazine
CID 66615408
1,3-Dihydroimidazo[4,5-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
CID 68853248
(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate
CID 68853251

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;molecular hydrogen?
The IUPAC name of 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;molecular hydrogen (CID 166091300) is 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;molecular hydrogen.
What is the SMILES notation for 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;molecular hydrogen?
The canonical SMILES for 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;molecular hydrogen is O=c1[nH]c2nccnc2[nH]1.[H][H].
What is the InChIKey of 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;molecular hydrogen?
The InChIKey is CBJUTIZKNHQUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O.H2/c10-5-8-3-4(9-5)7-2-1-6-3;/h1-2H,(H2,6,7,8,9,10);1H.
What are the key properties of 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;molecular hydrogen?
1,3-dihydroimidazo[4,5-b]pyrazin-2-one;molecular hydrogen has a molecular weight of 138.13 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroimidazo[4,5-b]pyrazin-2-one;molecular hydrogen is sourced from PubChem (CID 166091300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).