nitric acid;2H-triazole

C2H4N4O3 — CID 23315469

IUPACnitric acid;2H-triazole
SMILESO=[N+]([O-])O.c1cn[nH]n1
InChIInChI=1S/C2H3N3.HNO3/c1-2-4-5-3-1;2-1(3)4/h1-2H,(H,3,4,5);(H,2,3,4)
InChIKeyIKOJJEGSGBXSMM-UHFFFAOYSA-N
MW132.08 g/mol
LogP-0.54
Rot. Bonds

About nitric acid;2H-triazole

nitric acid;2H-triazole (PubChem CID 23315469) has the molecular formula C2H4N4O3 and a molecular weight of 132.08 g/mol. Its IUPAC name is nitric acid;2H-triazole.

Molecular Properties

Compound Namenitric acid;2H-triazole
PubChem CID23315469
Molecular FormulaC2H4N4O3
Molecular Weight132.08 g/mol
Exact Mass132.03
IUPAC Namenitric acid;2H-triazole
SMILESO=[N+]([O-])O.c1cn[nH]n1
InChIInChI=1S/C2H3N3.HNO3/c1-2-4-5-3-1;2-1(3)4/h1-2H,(H,3,4,5);(H,2,3,4)
InChIKeyIKOJJEGSGBXSMM-UHFFFAOYSA-N
XLogP-0.54
TPSA104.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.08
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 nitric acid;2H-triazole?
The IUPAC name of nitric acid;2H-triazole (CID 23315469) is nitric acid;2H-triazole.
What is the SMILES notation for nitric acid;2H-triazole?
The canonical SMILES for nitric acid;2H-triazole is O=[N+]([O-])O.c1cn[nH]n1.
What is the InChIKey of nitric acid;2H-triazole?
The InChIKey is IKOJJEGSGBXSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3.HNO3/c1-2-4-5-3-1;2-1(3)4/h1-2H,(H,3,4,5);(H,2,3,4).
What are the key properties of nitric acid;2H-triazole?
nitric acid;2H-triazole has a molecular weight of 132.08 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;2H-triazole is sourced from PubChem (CID 23315469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).