4-nitroso-2H-triazole

C2H2N4O — CID 54480142

IUPAC4-nitroso-2H-triazole
SMILESO=Nc1cn[nH]n1
InChIInChI=1S/C2H2N4O/c7-5-2-1-3-6-4-2/h1H,(H,3,4,6)
InChIKeyMLIUPZQWIORRDT-UHFFFAOYSA-N
MW98.06 g/mol
LogP0.20
Rot. Bonds1

About 4-nitroso-2H-triazole

4-nitroso-2H-triazole (PubChem CID 54480142) has the molecular formula C2H2N4O and a molecular weight of 98.06 g/mol. Its IUPAC name is 4-nitroso-2H-triazole.

Molecular Properties

Compound Name4-nitroso-2H-triazole
PubChem CID54480142
Molecular FormulaC2H2N4O
Molecular Weight98.06 g/mol
Exact Mass98.02
IUPAC Name4-nitroso-2H-triazole
SMILESO=Nc1cn[nH]n1
InChIInChI=1S/C2H2N4O/c7-5-2-1-3-6-4-2/h1H,(H,3,4,6)
InChIKeyMLIUPZQWIORRDT-UHFFFAOYSA-N
XLogP0.20
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.06
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-nitro-2H-1,2,3-triazole
CID 278150
2,4-Dinitro-1,2,3-triazole
CID 15751543
Azidotriazole
CID 14147618
Mononitrotriazole oxide
CID 14417376
4-Nitrotriazol-1-amine
CID 14952780
4-Nitrotriazol-2-amine
CID 14952781
3,5-Dinitrotriazole
CID 20532053
Azidofurazan
CID 22447438
Hydrazinofurazan
CID 70031082
Diazenofurazan
CID 70165896
Furazanyldiazene oxide
CID 129801891
Azidoaminofurazan
CID 129815793

Frequently Asked Questions

What is the IUPAC name of 4-nitroso-2H-triazole?
The IUPAC name of 4-nitroso-2H-triazole (CID 54480142) is 4-nitroso-2H-triazole.
What is the SMILES notation for 4-nitroso-2H-triazole?
The canonical SMILES for 4-nitroso-2H-triazole is O=Nc1cn[nH]n1.
What is the InChIKey of 4-nitroso-2H-triazole?
The InChIKey is MLIUPZQWIORRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N4O/c7-5-2-1-3-6-4-2/h1H,(H,3,4,6).
What are the key properties of 4-nitroso-2H-triazole?
4-nitroso-2H-triazole has a molecular weight of 98.06 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-2H-triazole is sourced from PubChem (CID 54480142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).