1,2-dihydroimidazo[1,5-c]imidazol-3-one

C5H5N3O — CID 90961112

IUPAC1,2-dihydroimidazo[1,5-c]imidazol-3-one
SMILESO=C1NCc2cncn21
InChIInChI=1S/C5H5N3O/c9-5-7-2-4-1-6-3-8(4)5/h1,3H,2H2,(H,7,9)
InChIKeyJAIVLPKIELPUOB-UHFFFAOYSA-N
MW123.11 g/mol
LogP-0.05
Rot. Bonds

About 1,2-dihydroimidazo[1,5-c]imidazol-3-one

1,2-dihydroimidazo[1,5-c]imidazol-3-one (PubChem CID 90961112) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,5-c]imidazol-3-one.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,5-c]imidazol-3-one
PubChem CID90961112
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Name1,2-dihydroimidazo[1,5-c]imidazol-3-one
SMILESO=C1NCc2cncn21
InChIInChI=1S/C5H5N3O/c9-5-7-2-4-1-6-3-8(4)5/h1,3H,2H2,(H,7,9)
InChIKeyJAIVLPKIELPUOB-UHFFFAOYSA-N
XLogP-0.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,5-c]imidazol-3-one?
The IUPAC name of 1,2-dihydroimidazo[1,5-c]imidazol-3-one (CID 90961112) is 1,2-dihydroimidazo[1,5-c]imidazol-3-one.
What is the SMILES notation for 1,2-dihydroimidazo[1,5-c]imidazol-3-one?
The canonical SMILES for 1,2-dihydroimidazo[1,5-c]imidazol-3-one is O=C1NCc2cncn21.
What is the InChIKey of 1,2-dihydroimidazo[1,5-c]imidazol-3-one?
The InChIKey is JAIVLPKIELPUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c9-5-7-2-4-1-6-3-8(4)5/h1,3H,2H2,(H,7,9).
What are the key properties of 1,2-dihydroimidazo[1,5-c]imidazol-3-one?
1,2-dihydroimidazo[1,5-c]imidazol-3-one has a molecular weight of 123.11 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,5-c]imidazol-3-one is sourced from PubChem (CID 90961112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).