formaldehyde;bis(1,2,5-oxadiazole)

C5H6N4O3 — CID 174394463

IUPACformaldehyde;bis(1,2,5-oxadiazole)
SMILESC=O.c1cnon1.c1cnon1
InChIInChI=1S/2C2H2N2O.CH2O/c2*1-2-4-5-3-1;1-2/h2*1-2H;1H2
InChIKeyDQDXKKPPWBJKSB-UHFFFAOYSA-N
MW170.13 g/mol
LogP-0.05
Rot. Bonds

About formaldehyde;bis(1,2,5-oxadiazole)

formaldehyde;bis(1,2,5-oxadiazole) (PubChem CID 174394463) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is formaldehyde;bis(1,2,5-oxadiazole).

Molecular Properties

Compound Nameformaldehyde;bis(1,2,5-oxadiazole)
PubChem CID174394463
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Nameformaldehyde;bis(1,2,5-oxadiazole)
SMILESC=O.c1cnon1.c1cnon1
InChIInChI=1S/2C2H2N2O.CH2O/c2*1-2-4-5-3-1;1-2/h2*1-2H;1H2
InChIKeyDQDXKKPPWBJKSB-UHFFFAOYSA-N
XLogP-0.05
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;bis(1,2,5-oxadiazole)?
The IUPAC name of formaldehyde;bis(1,2,5-oxadiazole) (CID 174394463) is formaldehyde;bis(1,2,5-oxadiazole).
What is the SMILES notation for formaldehyde;bis(1,2,5-oxadiazole)?
The canonical SMILES for formaldehyde;bis(1,2,5-oxadiazole) is C=O.c1cnon1.c1cnon1.
What is the InChIKey of formaldehyde;bis(1,2,5-oxadiazole)?
The InChIKey is DQDXKKPPWBJKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H2N2O.CH2O/c2*1-2-4-5-3-1;1-2/h2*1-2H;1H2.
What are the key properties of formaldehyde;bis(1,2,5-oxadiazole)?
formaldehyde;bis(1,2,5-oxadiazole) has a molecular weight of 170.13 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;bis(1,2,5-oxadiazole) is sourced from PubChem (CID 174394463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).