CID 67470125

C3H4N6O2 — CID 67470125

IUPAC—
SMILESO=[N+]([O-])c1ncc[nH]1.[N-]=[N+]=N
InChIInChI=1S/C3H3N3O2.HN3/c7-6(8)3-4-1-2-5-3;1-3-2/h1-2H,(H,4,5);1H
InChIKeyVXIXPJVTYFDGOL-UHFFFAOYSA-N
MW156.11 g/mol
LogP1.19
Rot. Bonds1

About CID 67470125

CID 67470125 (PubChem CID 67470125) has the molecular formula C3H4N6O2 and a molecular weight of 156.11 g/mol.

Molecular Properties

Compound NameCID 67470125
PubChem CID67470125
Molecular FormulaC3H4N6O2
Molecular Weight156.11 g/mol
Exact Mass156.04
IUPAC Name—
SMILESO=[N+]([O-])c1ncc[nH]1.[N-]=[N+]=N
InChIInChI=1S/C3H3N3O2.HN3/c7-6(8)3-4-1-2-5-3;1-3-2/h1-2H,(H,4,5);1H
InChIKeyVXIXPJVTYFDGOL-UHFFFAOYSA-N
XLogP1.19
TPSA132.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.11
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze CID 67470125 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 2-nitro-1H-imidazole
CID 23707816
methanol;2-nitro-1H-imidazole
CID 67614962
2-nitro-1H-imidazole;1,3-oxazolidin-2-one
CID 172854121
6-methyl-1H-benzimidazole;2-nitro-1H-imidazole
CID 159525910
N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine
CID 137232334
(NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine
CID 135477872
2-(4-nitrophenoxy)-1H-imidazole
CID 123256128
tetrasilver;octakis(2-phenyl-1H-imidazole);tetranitrate
CID 139078083
2-[(4-nitrophenyl)methyl]-1H-imidazole;hydrochloride
CID 131874324
2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole
CID 175851441
2-(1H-imidazol-2-yl)-1H-imidazole;bis(2,4,6-trinitrophenol)
CID 71349505
nitric acid;2-phenyl-1H-imidazole
CID 175386038

Frequently Asked Questions

What is the IUPAC name of CID 67470125?
The IUPAC name of CID 67470125 (CID 67470125) is not available.
What is the SMILES notation for CID 67470125?
The canonical SMILES for CID 67470125 is O=[N+]([O-])c1ncc[nH]1.[N-]=[N+]=N.
What is the InChIKey of CID 67470125?
The InChIKey is VXIXPJVTYFDGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O2.HN3/c7-6(8)3-4-1-2-5-3;1-3-2/h1-2H,(H,4,5);1H.
What are the key properties of CID 67470125?
CID 67470125 has a molecular weight of 156.11 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67470125 is sourced from PubChem (CID 67470125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).