nitro(1H-1,2,4-triazol-5-yl)azanide

C2H2N5O2- — CID 139094407

IUPACnitro(1H-1,2,4-triazol-5-yl)azanide
SMILESO=[N+]([O-])[N-]c1ncn[nH]1
InChIInChI=1S/C2H2N5O2/c8-7(9)6-2-3-1-4-5-2/h1H,(H-,3,4,5,6)/q-1
InChIKeyDHGIZJZJGIWERS-UHFFFAOYSA-N
MW128.07 g/mol
LogP0.00
Rot. Bonds2

About nitro(1H-1,2,4-triazol-5-yl)azanide

nitro(1H-1,2,4-triazol-5-yl)azanide (PubChem CID 139094407) has the molecular formula C2H2N5O2- and a molecular weight of 128.07 g/mol. Its IUPAC name is nitro(1H-1,2,4-triazol-5-yl)azanide.

Molecular Properties

Compound Namenitro(1H-1,2,4-triazol-5-yl)azanide
PubChem CID139094407
Molecular FormulaC2H2N5O2-
Molecular Weight128.07 g/mol
Exact Mass128.02
IUPAC Namenitro(1H-1,2,4-triazol-5-yl)azanide
SMILESO=[N+]([O-])[N-]c1ncn[nH]1
InChIInChI=1S/C2H2N5O2/c8-7(9)6-2-3-1-4-5-2/h1H,(H-,3,4,5,6)/q-1
InChIKeyDHGIZJZJGIWERS-UHFFFAOYSA-N
XLogP0.00
TPSA98.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.07
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nitro(1H-1,2,4-triazol-5-yl)azanide?
The IUPAC name of nitro(1H-1,2,4-triazol-5-yl)azanide (CID 139094407) is nitro(1H-1,2,4-triazol-5-yl)azanide.
What is the SMILES notation for nitro(1H-1,2,4-triazol-5-yl)azanide?
The canonical SMILES for nitro(1H-1,2,4-triazol-5-yl)azanide is O=[N+]([O-])[N-]c1ncn[nH]1.
What is the InChIKey of nitro(1H-1,2,4-triazol-5-yl)azanide?
The InChIKey is DHGIZJZJGIWERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N5O2/c8-7(9)6-2-3-1-4-5-2/h1H,(H-,3,4,5,6)/q-1.
What are the key properties of nitro(1H-1,2,4-triazol-5-yl)azanide?
nitro(1H-1,2,4-triazol-5-yl)azanide has a molecular weight of 128.07 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitro(1H-1,2,4-triazol-5-yl)azanide is sourced from PubChem (CID 139094407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).