N-nitrosonitrous amide;oxalic acid

C2H3N3O6 — CID 170352713

IUPACN-nitrosonitrous amide;oxalic acid
SMILESO=C(O)C(=O)O.O=NNN=O
InChIInChI=1S/C2H2O4.HN3O2/c3-1(4)2(5)6;4-2-1-3-5/h(H,3,4)(H,5,6);(H,1,4,5)
InChIKeyCPMKZMDXJLASAN-UHFFFAOYSA-N
MW165.06 g/mol
LogP-0.91
Rot. Bonds2

About N-nitrosonitrous amide;oxalic acid

N-nitrosonitrous amide;oxalic acid (PubChem CID 170352713) has the molecular formula C2H3N3O6 and a molecular weight of 165.06 g/mol. Its IUPAC name is N-nitrosonitrous amide;oxalic acid.

Molecular Properties

Compound NameN-nitrosonitrous amide;oxalic acid
PubChem CID170352713
Molecular FormulaC2H3N3O6
Molecular Weight165.06 g/mol
Exact Mass165.00
IUPAC NameN-nitrosonitrous amide;oxalic acid
SMILESO=C(O)C(=O)O.O=NNN=O
InChIInChI=1S/C2H2O4.HN3O2/c3-1(4)2(5)6;4-2-1-3-5/h(H,3,4)(H,5,6);(H,1,4,5)
InChIKeyCPMKZMDXJLASAN-UHFFFAOYSA-N
XLogP-0.91
TPSA145.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azonous acid;oxalic acid
CID 172853000
magnesium oxalic acid
CID 54611841
oxalic acid;trihydrochloride
CID 140553783
californium;oxalic acid
CID 87427078
oxalic acid;hydrochloride
CID 173369286
oxalic acid;thorium
CID 25199595
europium;oxalic acid
CID 90472147
carbanide;oxalic acid;platinum;nitrite
CID 58115577
azane;carbonic acid;oxalic acid
CID 174837249
azane;oxalic acid;dihydrate
CID 173006602
oxalic acid;zirconium;hydrate
CID 91886498
indigane;λ2-stannane;oxalic acid
CID 175366280

Frequently Asked Questions

What is the IUPAC name of N-nitrosonitrous amide;oxalic acid?
The IUPAC name of N-nitrosonitrous amide;oxalic acid (CID 170352713) is N-nitrosonitrous amide;oxalic acid.
What is the SMILES notation for N-nitrosonitrous amide;oxalic acid?
The canonical SMILES for N-nitrosonitrous amide;oxalic acid is O=C(O)C(=O)O.O=NNN=O.
What is the InChIKey of N-nitrosonitrous amide;oxalic acid?
The InChIKey is CPMKZMDXJLASAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.HN3O2/c3-1(4)2(5)6;4-2-1-3-5/h(H,3,4)(H,5,6);(H,1,4,5).
What are the key properties of N-nitrosonitrous amide;oxalic acid?
N-nitrosonitrous amide;oxalic acid has a molecular weight of 165.06 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-nitrosonitrous amide;oxalic acid is sourced from PubChem (CID 170352713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).