5-nitroso-1,2,4-triazol-3-one

C2N4O2 — CID 156598752

IUPAC5-nitroso-1,2,4-triazol-3-one
SMILESO=NC1=NC(=O)N=N1
InChIInChI=1S/C2N4O2/c7-2-3-1(6-8)4-5-2
InChIKeyBGOQCCYSPUQQRB-UHFFFAOYSA-N
MW112.05 g/mol
LogP0.69
Rot. Bonds

About 5-nitroso-1,2,4-triazol-3-one

5-nitroso-1,2,4-triazol-3-one (PubChem CID 156598752) has the molecular formula C2N4O2 and a molecular weight of 112.05 g/mol. Its IUPAC name is 5-nitroso-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-nitroso-1,2,4-triazol-3-one
PubChem CID156598752
Molecular FormulaC2N4O2
Molecular Weight112.05 g/mol
Exact Mass112.00
IUPAC Name5-nitroso-1,2,4-triazol-3-one
SMILESO=NC1=NC(=O)N=N1
InChIInChI=1S/C2N4O2/c7-2-3-1(6-8)4-5-2
InChIKeyBGOQCCYSPUQQRB-UHFFFAOYSA-N
XLogP0.69
TPSA83.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.05
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-nitroso-1,2,4-triazol-3-one?
The IUPAC name of 5-nitroso-1,2,4-triazol-3-one (CID 156598752) is 5-nitroso-1,2,4-triazol-3-one.
What is the SMILES notation for 5-nitroso-1,2,4-triazol-3-one?
The canonical SMILES for 5-nitroso-1,2,4-triazol-3-one is O=NC1=NC(=O)N=N1.
What is the InChIKey of 5-nitroso-1,2,4-triazol-3-one?
The InChIKey is BGOQCCYSPUQQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N4O2/c7-2-3-1(6-8)4-5-2.
What are the key properties of 5-nitroso-1,2,4-triazol-3-one?
5-nitroso-1,2,4-triazol-3-one has a molecular weight of 112.05 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-1,2,4-triazol-3-one is sourced from PubChem (CID 156598752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).