dioxovanadium;1-hydroxy-4,5-dihydroimidazole

C3H6N2O3V — CID 175009484

IUPACdioxovanadium;1-hydroxy-4,5-dihydroimidazole
SMILESO=[V]=O.ON1C=NCC1
InChIInChI=1S/C3H6N2O.2O.V/c6-5-2-1-4-3-5;;;/h3,6H,1-2H2;;;
InChIKeyJPESUNDLBPWYBR-UHFFFAOYSA-N
MW169.04 g/mol
LogP-0.52
Rot. Bonds

About dioxovanadium;1-hydroxy-4,5-dihydroimidazole

dioxovanadium;1-hydroxy-4,5-dihydroimidazole (PubChem CID 175009484) has the molecular formula C3H6N2O3V and a molecular weight of 169.04 g/mol. Its IUPAC name is dioxovanadium;1-hydroxy-4,5-dihydroimidazole.

Molecular Properties

Compound Namedioxovanadium;1-hydroxy-4,5-dihydroimidazole
PubChem CID175009484
Molecular FormulaC3H6N2O3V
Molecular Weight169.04 g/mol
Exact Mass168.98
IUPAC Namedioxovanadium;1-hydroxy-4,5-dihydroimidazole
SMILESO=[V]=O.ON1C=NCC1
InChIInChI=1S/C3H6N2O.2O.V/c6-5-2-1-4-3-5;;;/h3,6H,1-2H2;;;
InChIKeyJPESUNDLBPWYBR-UHFFFAOYSA-N
XLogP-0.52
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.04
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dioxovanadium;1-hydroxy-4,5-dihydroimidazole?
The IUPAC name of dioxovanadium;1-hydroxy-4,5-dihydroimidazole (CID 175009484) is dioxovanadium;1-hydroxy-4,5-dihydroimidazole.
What is the SMILES notation for dioxovanadium;1-hydroxy-4,5-dihydroimidazole?
The canonical SMILES for dioxovanadium;1-hydroxy-4,5-dihydroimidazole is O=[V]=O.ON1C=NCC1.
What is the InChIKey of dioxovanadium;1-hydroxy-4,5-dihydroimidazole?
The InChIKey is JPESUNDLBPWYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O.2O.V/c6-5-2-1-4-3-5;;;/h3,6H,1-2H2;;;.
What are the key properties of dioxovanadium;1-hydroxy-4,5-dihydroimidazole?
dioxovanadium;1-hydroxy-4,5-dihydroimidazole has a molecular weight of 169.04 g/mol, XLogP of -0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dioxovanadium;1-hydroxy-4,5-dihydroimidazole is sourced from PubChem (CID 175009484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).